12343400
  -OEChem-05092402252D

 45 45  0     1  0  0  0  0  0999 V2000
    5.6720    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7685    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    5.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7700    7.0388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.2685    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.4040    4.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5380    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4610    6.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7700    7.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1486    5.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7500    6.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4821    3.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8806    4.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    6.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    5.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2825    6.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8840    7.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6687    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    6.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714    5.8962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1344    7.5404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.4585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 23  1  0  0  0  0
  3  8  1  0  0  0  0
  3 45  1  0  0  0  0
  4  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6 12  1  0  0  0  0
  6 18  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  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 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 19  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 36  1  0  0  0  0
 18 24  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 23  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  CHG  2   4  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
12343400

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHAIECAAADQLBGiQ/kJcMUAChAjBnZQACgC0xF6AJyAAYMoiIaCKBmxGUIAAogAKIiCcQgMAOhAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_NAME>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(2,4-dichlorophenyl)heptyl]imidazole;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H20Cl2N2.HNO3/c1-2-3-4-5-13(11-20-9-8-19-12-20)15-7-6-14(17)10-16(15)18;2-1(3)4/h6-10,12-13H,2-5,11H2,1H3;(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
NIQNGMIVKCLBIH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
373.0959969

> <PUBCHEM_MOLECULAR_FORMULA>
C16H21Cl2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
374.3

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

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

> <PUBCHEM_CACTVS_TPSA>
83.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.0959969

> <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>
13  16  8
13  17  8
16  21  8
17  22  8
18  24  8
21  23  8
22  23  8
6  18  8
6  20  8
7  20  8
7  24  8
9  10  3

$$$$