1549093
  -OEChem-05302104242D

 21 21  0     0  0  0  0  0  0999 V2000
    2.8660    1.1900    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
1549093

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
46.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAAAAAAAHAAQAAAACCjBAAQAAABAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAIAgAAAAAAAEAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclohexylammonium

> <PUBCHEM_IUPAC_CAS_NAME>
cyclohexylammonium

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclohexylazanium

> <PUBCHEM_IUPAC_NAME>
cyclohexylazanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclohexylazanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexylammonium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
PAFZNILMFXTMIY-UHFFFAOYSA-O

> <PUBCHEM_XLOGP3>
1.5

> <PUBCHEM_EXACT_MASS>
100.112624451

> <PUBCHEM_MOLECULAR_FORMULA>
C6H14N+

> <PUBCHEM_MOLECULAR_WEIGHT>
100.18

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)[NH3+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)[NH3+]

> <PUBCHEM_CACTVS_TPSA>
27.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
100.112624451

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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

$$$$
