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

Systemtic Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-(1H-pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-4-(1H-pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4NC=CC=N4)C=CC3=O

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4NC=CC=N4)C=CC3=O

InChI

InChI=1S/C22H24N4O/c1-17-5-2-3-6-20(17)26-13-11-25(12-14-26)16-19-15-18(7-8-21(19)27)22-23-9-4-10-24-22/h2-10,15,23H,11-14,16H2,1H3/p+1