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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(6-methoxy-1H-pyridin-2-ylidene)-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4C=CC=C(N4)OC)C=CC3=O

InChI

InChI=1S/C25H29N3O3/c1-3-31-24-9-5-4-8-22(24)28-15-13-27(14-16-28)18-20-17-19(11-12-23(20)29)21-7-6-10-25(26-21)30-2/h4-12,17,26H,3,13-16,18H2,1-2H3/p+1