2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-3-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)butyronitrile Formula: C22H26N6O+2 MolecularWeight: 390.48144

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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=[NH+]4)C

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H24N6O/c1-25-18-7-3-4-8-19(18)26(2)22(25)17(15-23)20(29)16-27-11-13-28(14-12-27)21-9-5-6-10-24-21/h3-10H,11-14,16H2,1-2H3/p+2