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

Systemtic Name: ethyl (3S)-1-[[2-(2-hydroxyethyloxy)phenyl]methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-hydroxyethoxy)benzyl]-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C25H34NO4+ MolecularWeight: 412.54176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC=CC=C2OCCO)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=CC=CC=C2OCCO)CCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO4/c1-2-29-24(28)25(15-13-21-9-4-3-5-10-21)14-8-16-26(20-25)19-22-11-6-7-12-23(22)30-18-17-27/h3-7,9-12,27H,2,8,13-20H2,1H3/p+1/t25-/m1/s1