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

Systemtic Name: ethyl (3S)-1-[[3-(2-hydroxyethyloxy)phenyl]methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[3-(2-hydroxyethoxy)benzyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=CC=C2)OCCO)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=CC=C2)OCCO)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-2-28-23(27)24(17-20-8-4-3-5-9-20)12-7-13-25(19-24)18-21-10-6-11-22(16-21)29-15-14-26/h3-6,8-11,16,26H,2,7,12-15,17-19H2,1H3/p+1/t24-/m0/s1