15938
 OpenBabel05082101102D

 30 29  0  0  0  0  0  0  0  0999 V2000
    2.5000    3.8700    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8700    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.4030    1.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4030    6.6200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4030    3.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    5.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5369    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    6.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    7.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8059    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8059    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8059    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8059    6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4030    8.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7830    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 11  2  0  0  0  0
  3 13  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  2  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  0  0  0  0
  9 13  2  0  0  0  0
  9 19  1  0  0  0  0
 10 14  2  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  CHG  4   1  -1   2  -1   3   1   4   1
M  END
>  <PUBCHEM_COMPOUND_CID>
15938

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
145

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAGAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAAAAAAADADBGgQ+gJMMEACgAjBnRACCgCAxAiAI2CA4ZJgIIGLAkZGEIAhggADIyAcQAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_NAME>
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;dichloride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
FIKAKWIAUPDISJ-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
256.053404

>  <PUBCHEM_MOLECULAR_FORMULA>
C12H14Cl2N2

>  <PUBCHEM_MOLECULAR_WEIGHT>
257.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]

>  <PUBCHEM_CACTVS_TPSA>
7.8

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
256.053404

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
16

>  <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  14  8
3  11  8
3  13  8
4  12  8
4  14  8
5  7  8
5  9  8
6  10  8
6  8  8
7  11  8
8  12  8
9  13  8

$$$$
