(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: (2E)-4-(4-benzoylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(4-benzoyl-1-piperazin-1-iumyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(4-benzoylpiperazin-1-ium-1-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-4-(4-benzoylpiperazin-1-ium-1-yl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)butyronitrile Formula: C23H24N5O2+ MolecularWeight: 402.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2/c1-26-20-10-6-5-9-19(20)25-22(26)18(15-24)21(29)16-27-11-13-28(14-12-27)23(30)17-7-3-2-4-8-17/h2-10,25H,11-14,16H2,1H3/p+1/b22-18+