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

Systemtic Name: ethyl 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,3-dimethoxyphenyl)methyl]-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-o-veratryl-4-(2-phenoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5/c1-4-30-24(27)25(15-18-31-21-10-6-5-7-11-21)13-16-26(17-14-25)19-20-9-8-12-22(28-2)23(20)29-3/h5-12H,4,13-19H2,1-3H3/p+1