ethyl (3S)-1-[[2-(2-hydroxyethyloxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[2-(2-hydroxyethyloxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-hydroxyethoxy)benzyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H34NO5+ MolecularWeight: 428.54116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC=C2OCCO)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=CC=C2OCCO)CCOC3=CC=CC=C3

InChI

InChI=1S/C25H33NO5/c1-2-29-24(28)25(14-17-30-22-10-4-3-5-11-22)13-8-15-26(20-25)19-21-9-6-7-12-23(21)31-18-16-27/h3-7,9-12,27H,2,8,13-20H2,1H3/p+1/t25-/m0/s1