70039725
  -OEChem-05112416582D

 33 34  0     0  0  0  0  0  0999 V2000
    6.6254    1.7989    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.6254    4.3157    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.2610    4.9983    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2610    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762    1.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    3.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    4.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1701    1.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323    4.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5441    2.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762    3.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5441    1.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762    1.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5392    4.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1323    0.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2413    5.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    4.8518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    3.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    3.3320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    1.6891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    1.6663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    5.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2332    4.4452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8697    0.2014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8612    6.0103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291    6.6180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214    5.9859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  9  2  0  0  0  0
  3 12  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
 10 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 33  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  CHG  3   1  -1   2  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
70039725

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
329

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7AAAGAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx/gAAHAAAAAAADAjBHgQ+gNMMEACgAzRnRACCgCAxACAI2CA4RJgIIOLAkZGEIAhggADIyAcQgMAOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_CAS_NAME>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.0<SUP>4,16</SUP>.0<SUP>11,15</SUP>]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_NAME>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,6-dimethyl-13-aza-6-azoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),5,7,9,11,13-octaene;dichloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13N2.2ClH/c1-10-14-6-5-12-8-17-7-11-3-4-13(9-18(10)2)16(14)15(11)12;;/h3-9H,1-2H3;2*1H/q+1;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FHMBYIAPLBPMRX-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
303.0455788

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13Cl2N2-

> <PUBCHEM_MOLECULAR_WEIGHT>
304.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=[N+](C=C2C=CC3=CN=CC4=C3C2=C1C=C4)C.[Cl-].[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=[N+](C=C2C=CC3=CN=CC4=C3C2=C1C=C4)C.[Cl-].[Cl-]

> <PUBCHEM_CACTVS_TPSA>
16.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.0455788

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
10  18  8
11  16  8
11  19  8
13  15  8
14  16  8
3  12  8
3  9  8
4  18  8
4  19  8
5  6  8
5  7  8
5  8  8
6  10  8
6  11  8
7  13  8
7  9  8
8  12  8
8  14  8

$$$$