(3,5-dimethoxyphenyl)methyl-[[6-oxidanylidene-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium

Systemtic Name: (3,5-dimethoxyphenyl)methyl-[[6-oxidanylidene-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: (3,5-dimethoxyphenyl)methyl-[[6-oxo-3-(1H-pyridin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: (3,5-dimethoxyphenyl)methyl-[[6-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[[6-keto-3-(1H-pyridin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]CC2=CC(=C3C=CC=CN3)C=CC2=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+]CC2=CC(=C3C=CC=CN3)C=CC2=O)OC

InChI

InChI=1S/C21H22N2O3/c1-25-18-9-15(10-19(12-18)26-2)13-22-14-17-11-16(6-7-21(17)24)20-5-3-4-8-23-20/h3-12,22-23H,13-14H2,1-2H3/p+1