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

Systemtic Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-3-oxobutanenitrile IUPAC Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]butyronitrile Formula: C22H24N5O2+ MolecularWeight: 390.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C22H23N5O2/c1-29-17-6-4-5-16(13-17)27-11-9-26(10-12-27)15-21(28)18(14-23)22-24-19-7-2-3-8-20(19)25-22/h2-8,13,24-25H,9-12,15H2,1H3/p+1