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

Systemtic Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C18H20NO5+ MolecularWeight: 330.3551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20NO5/c1-4-24-18(21)14-6-5-9-19(11-14)12-15(20)13-7-8-16(22-2)17(10-13)23-3/h5-11H,4,12H2,1-3H3/q+1