(2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Openeye Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]butanenitrile CAS Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]butanenitrile IUPAC Name: (2E)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-4-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]butanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-[4-(2-thenyl)piperazine-1,4-diium-1-yl]butyronitrile Formula: C21H25N5OS+2 MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2NC1=C(C#N)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN\1C2=CC=CC=C2N/C1=C(/C#N)\C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C21H23N5OS/c1-24-19-7-3-2-6-18(19)23-21(24)17(13-22)20(27)15-26-10-8-25(9-11-26)14-16-5-4-12-28-16/h2-7,12,23H,8-11,14-15H2,1H3/p+2/b21-17+