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

Systemtic Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(homoveratrylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H31N2O5+ MolecularWeight: 379.47054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H30N2O5/c1-4-27-20(24)16-8-11-22(12-9-16)14-19(23)21-10-7-15-5-6-17(25-2)18(13-15)26-3/h5-6,13,16H,4,7-12,14H2,1-3H3,(H,21,23)/p+1