2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-(4-benzoyl-1-piperazin-1-iumyl)-2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxobutanenitrile IUPAC Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-benzoylpiperazin-1-ium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C24H25N5O2/c1-26-20-10-6-7-11-21(20)27(2)23(26)19(16-25)22(30)17-28-12-14-29(15-13-28)24(31)18-8-4-3-5-9-18/h3-11H,12-15,17H2,1-2H3/p+1