2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C22H24N5O+ MolecularWeight: 374.45886

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O/c1-25-20-10-6-5-9-19(20)24-22(25)18(15-23)21(28)16-26-11-13-27(14-12-26)17-7-3-2-4-8-17/h2-10,24H,11-14,16H2,1H3/p+1