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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(o-tolyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(o-tolyl)piperazin-1-ium-1-yl]butyronitrile Formula: C22H24N5O+ MolecularWeight: 374.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C22H23N5O/c1-16-6-2-5-9-20(16)27-12-10-26(11-13-27)15-21(28)17(14-23)22-24-18-7-3-4-8-19(18)25-22/h2-9,24-25H,10-13,15H2,1H3/p+1