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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[[6-oxidanylidene-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[[6-oxo-3-(1H-pyrimidin-2-ylidene)-1-cyclohexa-1,4-dienyl]methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[[6-oxo-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]azanium Traditional Name: homoveratryl-[[6-keto-3-(1H-pyrimidin-2-ylidene)cyclohexa-1,4-dien-1-yl]methyl]ammonium Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C3NC=CC=N3)C=CC2=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=C3NC=CC=N3)C=CC2=O)OC

InChI

InChI=1S/C21H23N3O3/c1-26-19-7-4-15(12-20(19)27-2)8-11-22-14-17-13-16(5-6-18(17)25)21-23-9-3-10-24-21/h3-7,9-10,12-13,22-23H,8,11,14H2,1-2H3/p+1