23723125
  -OEChem-04262417302D

 48 48  0     1  0  0  0  0  0999 V2000
    0.4030    3.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8175   10.3888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0854   10.3888    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.9515    8.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8517    5.4564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    9.8888    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    3.6200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    2.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    2.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030    1.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735    6.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825    4.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    1.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    6.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9856    3.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    4.2306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3204    2.5419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0106    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    5.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    4.5123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4856    2.9660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953    3.3646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8204    1.6759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106    1.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953    2.4985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9128    6.5294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3114    4.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.7119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    0.4850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    1.3319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    6.8888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3544   10.0788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 48  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  5 11  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 19  2  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 17 22  2  0  0  0  0
 17 38  1  0  0  0  0
 18 24  2  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
23723125

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
291

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADALBGgQ/kJcMUAChAjBnZQACgC0xEqAJyAAYMoiIaCKBmRHUIAAogAKIiCcQgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-chloro-2-phenyl-octyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-(2-chloro-2-phenyloctyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-chloro-2-phenyloctyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-(2-chloro-2-phenyloctyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-chloranyl-2-phenyl-octyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-chloro-2-phenyl-octyl)imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H23ClN2.HNO3/c1-2-3-4-8-11-17(18,14-20-13-12-19-15-20)16-9-6-5-7-10-16;2-1(3)4/h5-7,9-10,12-13,15H,2-4,8,11,14H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
JAPJEKLDUNGDQA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
353.1506193

> <PUBCHEM_MOLECULAR_FORMULA>
C17H24ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
353.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC(CN1C=CN=C1)(C2=CC=CC=C2)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCC(CN1C=CN=C1)(C2=CC=CC=C2)Cl.[N+](=O)(O)[O-]

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.1506193

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
8  1  3
13  16  8
13  17  8
16  21  8
17  22  8
18  24  8
21  23  8
22  23  8
5  18  8
5  19  8
6  19  8
6  24  8

$$$$