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

Systemtic Name: 5-[cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Openeye Name: 5-[cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile CAS Name: 5-[cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-6-(4-methyl-1-piperazin-4-iumyl)pyrazine-2,3-dicarbonitrile IUPAC Name: 5-[cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Traditional Name: 5-[cyano-(3-ethyl-1H-benzimidazol-2-ylidene)methyl]-6-(4-methylpiperazin-4-ium-1-yl)pyrazine-2,3-dicarbonitrile Formula: C22H22N9+ MolecularWeight: 412.47038

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2NC1=C(C#N)C3=NC(=C(N=C3N4CC[NH+](CC4)C)C#N)C#N

Isomeric SMILES

CCN1C2=CC=CC=C2NC1=C(C#N)C3=NC(=C(N=C3N4CC[NH+](CC4)C)C#N)C#N

InChI

InChI=1S/C22H21N9/c1-3-31-19-7-5-4-6-16(19)27-21(31)15(12-23)20-22(30-10-8-29(2)9-11-30)28-18(14-25)17(13-24)26-20/h4-7,27H,3,8-11H2,1-2H3/p+1