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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O2/c1-26-21-9-4-5-10-22(21)27(2)24(26)20(16-25)23(30)17-28-11-13-29(14-12-28)18-7-6-8-19(15-18)31-3/h4-10,15H,11-14,17H2,1-3H3/p+1