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

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyronitrile Formula: C20H22N7O+ MolecularWeight: 376.43498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21N7O/c1-25-17-6-3-2-5-16(17)24-19(25)15(13-21)18(28)14-26-9-11-27(12-10-26)20-22-7-4-8-23-20/h2-8,24H,9-12,14H2,1H3/p+1/b19-15+