methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-homoveratrylpyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H20NO4+ MolecularWeight: 302.345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)OC)OC

InChI

InChI=1S/C17H20NO4/c1-20-15-7-6-13(11-16(15)21-2)8-10-18-9-4-5-14(12-18)17(19)22-3/h4-7,9,11-12H,8,10H2,1-3H3/q+1