ethyl (3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H30NO4+ MolecularWeight: 384.4886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-3-28-22(26)23(15-18-8-5-4-6-9-18)12-7-13-24(17-23)16-19-10-11-21(27-2)20(25)14-19/h4-6,8-11,14,25H,3,7,12-13,15-17H2,1-2H3/p+1/t23-/m0/s1