(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butyronitrile Formula: C21H24N6O+2 MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H22N6O/c1-25-18-7-3-2-6-17(18)24-21(25)16(14-22)19(28)15-26-10-12-27(13-11-26)20-8-4-5-9-23-20/h2-9,24H,10-13,15H2,1H3/p+2/b21-16+