2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-3-keto-butyronitrile Formula: C23H26N5O+ MolecularWeight: 388.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N)C

InChI

InChI=1S/C23H25N5O/c1-16-6-5-9-21(17(16)2)28-12-10-27(11-13-28)15-22(29)18(14-24)23-25-19-7-3-4-8-20(19)26-23/h3-9,25-26H,10-13,15H2,1-2H3/p+1