2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-(4-benzylpiperazine-1,4-diium-1-yl)-2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C24H29N5O+2 MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H27N5O/c1-26-21-10-6-7-11-22(21)27(2)24(26)20(16-25)23(30)18-29-14-12-28(13-15-29)17-19-8-4-3-5-9-19/h3-11H,12-15,17-18H2,1-2H3/p+2