Mrv0541 08041423122D          

 21 22  0  0  0  0            999 V2000
   -1.8156   -5.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1044   -4.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265   -4.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8158   -6.0360    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.3867   -5.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244   -4.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3179   -3.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3997   -3.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1109   -3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0495   -3.4904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7592   -3.0682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4703   -3.4865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8924   -3.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -3.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -1.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -2.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -1.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0675   -2.2318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3564   -0.9769    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  CHG  2   4   1  21   1
M  END
> <ID>
CHEBI:82614

> <NAME>
diminazene(2+)

> <DEFINITION>
A carboxamidinium ion resulting from the protonation of both of the amidino groups of diminazene. The major species at pH 7.3.

> <STAR>
3

> <IUPAC_NAME>
(triaz-1-ene-1,3-diyldi-4,1-phenylene)bis(iminomethanaminium)

> <FORMULA>
C14H17N7

> <MASS>
283.33060

> <MONOISOTOPIC_MASS>
283.15345

> <CHARGE>
2

> <SMILES>
NC(=[NH2+])c1ccc(NN=Nc2ccc(cc2)C(N)=[NH2+])cc1

> <INCHI>
InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)/p+2

> <INCHIKEY>
XNYZHCFCZNMTFY-UHFFFAOYSA-P

> <PUBMED_CITATION>
7902657

$$$$