68142057
  -OEChem-04262416252D

 46 47  0     1  0  0  0  0  0999 V2000
    9.1318    4.2577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    4.2577    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2657    2.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    4.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    6.5138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2657    3.7577    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2647    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    3.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3987    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307    4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    5.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    5.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628    4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    6.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278    2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    2.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881    1.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    1.8673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428    2.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1866    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5938    5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    2.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    5.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    3.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    5.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631    7.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6687    3.9477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 46  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4 14  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 19  2  0  0  0  0
  5 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 39  1  0  0  0  0
 18 23  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
68142057

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
279

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABwAAAHAAECAAADQDBGgQ9kJcMUAChAjBnZQACgC0xEqAJyAAYMIiIaCKAmRGUIAAogAKIiCcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-cyclohexyl-2-phenyl-ethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-cyclohexyl-2-phenylethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-cyclohexyl-2-phenylethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-(2-cyclohexyl-2-phenylethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-cyclohexyl-2-phenyl-ethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-cyclohexyl-2-phenyl-ethyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H22N2.HNO3/c1-3-7-15(8-4-1)17(13-19-12-11-18-14-19)16-9-5-2-6-10-16;2-1(3)4/h1,3-4,7-8,11-12,14,16-17H,2,5-6,9-10,13H2;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
LLAWZIPYRCCCOR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
317.17394160

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
317.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C(CN2C=CN=C2)C3=CC=CC=C3.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C(CN2C=CN=C2)C3=CC=CC=C3.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.17394160

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  17  8
16  20  8
17  21  8
18  23  8
20  22  8
21  22  8
4  18  8
4  19  8
5  19  8
5  23  8
8  14  3

$$$$