2-(3,4-dimethoxyphenyl)ethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[3-(6-methoxy-1H-pyridin-2-ylidene)-6-oxocyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: homoveratryl-[[6-keto-3-(6-methoxy-1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C3C=CC=C(N3)OC)C=CC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C3C=CC=C(N3)OC)C=CC2=O)OC

InChI

InChI=1S/C23H26N2O4/c1-27-21-10-7-16(13-22(21)28-2)11-12-24-15-18-14-17(8-9-20(18)26)19-5-4-6-23(25-19)29-3/h4-10,13-14,24-25H,11-12,15H2,1-3H3/p+1