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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[4-(2-thenyl)piperazine-1,4-diium-1-yl]butyronitrile Formula: C22H27N5OS+2 MolecularWeight: 409.54768

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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=CS4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4)C

InChI

InChI=1S/C22H25N5OS/c1-24-19-7-3-4-8-20(19)25(2)22(24)18(14-23)21(28)16-27-11-9-26(10-12-27)15-17-6-5-13-29-17/h3-8,13H,9-12,15-16H2,1-2H3/p+2