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

Systemtic Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dimethyl-2-benzimidazolylidene)-4-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-4-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dimethylbenzimidazol-2-ylidene)-3-keto-4-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]butyronitrile Formula: C25H31N5O+2 MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)C(=C3N(C4=CC=CC=C4N3C)C)C#N

InChI

InChI=1S/C25H29N5O/c1-19-8-4-5-9-20(19)17-29-12-14-30(15-13-29)18-24(31)21(16-26)25-27(2)22-10-6-7-11-23(22)28(25)3/h4-11H,12-15,17-18H2,1-3H3/p+2