Marvin  03121214482D          

 14 16  0  0  0  0            999 V2000
    8.6979  -10.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2854  -11.6844    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2854  -10.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4604  -11.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4604  -10.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479  -10.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5229  -10.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9354  -10.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9355  -11.6845    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.7605  -10.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7605  -11.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1730  -10.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5230  -12.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981  -12.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
  1  7  1  0  0  0  0
  2  1  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  1  0  0  0  0
 14 13  1  0  0  0  0
M  CHG  2   2   1   9   1
M  END
> <ID>
CHEBI:64163

> <NAME>
diquat

> <DEFINITION>
The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.

> <STAR>
3

> <SYNONYM>
Diquat dication; 9,10-Dihydro-8a,10a-diazoniaphenanthrene; 1,1'-Ethylene-2,2'-bipyridylium ion; 1,1'-Ethylene-2,2'-bipyridyldylium ion

> <IUPAC_NAME>
6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium

> <FORMULA>
C12H12N2

> <MASS>
184.23710

> <MONOISOTOPIC_MASS>
184.09895

> <CHARGE>
2

> <SMILES>
C1C[n+]2ccccc2-c2cccc[n+]12

> <INCHI>
InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2

> <INCHIKEY>
SYJFEGQWDCRVNX-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2764-72-9

> <REAXYS_REGISTRY_NUMBER>
3670526

> <CHEMIDPLUS>
2764-72-9

> <KEGG_COMPOUND_ACCESSION>
C18577

> <WIKIPEDIA_ACCESSION>
Diquat

$$$$