5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile

Systemtic Name: 5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Openeye Name: 5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile CAS Name: 5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methyl-1-piperazin-4-iumyl)pyrazine-2,3-dicarbonitrile IUPAC Name: 5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Traditional Name: 5-[cyano(1,3-dihydrobenzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Formula: C20H18N9+ MolecularWeight: 384.41722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(N=C2C(=C3NC4=CC=CC=C4N3)C#N)C#N)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(N=C2C(=C3NC4=CC=CC=C4N3)C#N)C#N)C#N

InChI

InChI=1S/C20H17N9/c1-28-6-8-29(9-7-28)20-18(24-16(11-22)17(12-23)27-20)13(10-21)19-25-14-4-2-3-5-15(14)26-19/h2-5,25-26H,6-9H2,1H3/p+1