2-[8-(2-azanylidene-1-cyano-ethenyl)-2-(1-methylpyridin-1-ium-3-yl)-5,8-dihydroquinoxalin-5-yl]propanedinitrile

Systemtic Name: 2-[8-(2-azanylidene-1-cyano-ethenyl)-2-(1-methylpyridin-1-ium-3-yl)-5,8-dihydroquinoxalin-5-yl]propanedinitrile Openeye Name: 2-[8-(1-cyano-2-imino-vinyl)-2-(1-methylpyridin-1-ium-3-yl)-5,8-dihydroquinoxalin-5-yl]propanedinitrile CAS Name: 2-[8-(1-cyano-2-iminoethenyl)-2-(1-methyl-3-pyridin-1-iumyl)-5,8-dihydroquinoxalin-5-yl]propanedinitrile IUPAC Name: 2-[8-(1-cyano-2-iminoethenyl)-2-(1-methylpyridin-1-ium-3-yl)-5,8-dihydroquinoxalin-5-yl]propanedinitrile Traditional Name: 2-[8-(1-cyano-2-imino-vinyl)-2-(1-methylpyridin-1-ium-3-yl)-5,8-dihydroquinoxalin-5-yl]malononitrile Formula: C20H13N7+ MolecularWeight: 351.36412

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=CN=C3C(C=CC(C3=N2)C(=C=N)C#N)[C](C#N)C#N

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=CN=C3C(C=CC(C3=N2)C(=C=N)C#N)[C](C#N)C#N

InChI

InChI=1S/C20H13N7/c1-27-6-2-3-13(12-27)18-11-25-19-16(14(7-21)8-22)4-5-17(20(19)26-18)15(9-23)10-24/h2-6,11-12,16-17,23H,1H3/q+1