1014
  -OEChem-05302104132D

 26 25  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.2685    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671   -1.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    0.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -1.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    0.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.9076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.8245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0571   -1.6714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -1.4445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2130    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2 11  1  0  0  0  0
  3 25  1  0  0  0  0
  4 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  CHG  1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
1014

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
158

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACCAAAADhgAYCAAMAARAAQAAAAIAAAAAAAAAAAAAIAAACAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trimethyl(2-phosphonooxyethyl)ammonium

> <PUBCHEM_IUPAC_CAS_NAME>
trimethyl(2-phosphonooxyethyl)ammonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
trimethyl(2-phosphonooxyethyl)azanium

> <PUBCHEM_IUPAC_NAME>
trimethyl(2-phosphonooxyethyl)azanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trimethyl(2-phosphonooxyethyl)azanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trimethyl(2-phosphonooxyethyl)ammonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
YHHSONZFOIEMCP-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3_AA>
-1.5

> <PUBCHEM_EXACT_MASS>
184.07386996

> <PUBCHEM_MOLECULAR_FORMULA>
C5H15NO4P+

> <PUBCHEM_MOLECULAR_WEIGHT>
184.15

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+](C)(C)CCOP(=O)(O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+](C)(C)CCOP(=O)(O)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
184.07386996

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
