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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)N1

Isomeric SMILES

COC1=CC=CC(=C2C=CC(=O)C(=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)N1

InChI

InChI=1S/C24H27N3O2/c1-29-24-9-5-8-22(25-24)20-10-11-23(28)21(16-20)18-27-14-12-26(13-15-27)17-19-6-3-2-4-7-19/h2-11,16,25H,12-15,17-18H2,1H3/p+1