4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

InChI

InChI=1S/C24H27N3O2/c1-18-6-3-4-8-22(18)27-14-12-26(13-15-27)17-20-16-19(10-11-23(20)28)21-7-5-9-24(25-21)29-2/h3-11,16,25H,12-15,17H2,1-2H3/p+1