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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

InChI

InChI=1S/C25H29N3O2/c1-18-7-8-19(2)23(15-18)28-13-11-27(12-14-28)17-21-16-20(9-10-24(21)29)22-5-4-6-25(26-22)30-3/h4-10,15-16,26H,11-14,17H2,1-3H3/p+1