ethyl (3S)-1-[(2-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-m-anisyl-1-salicyl-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=CC=C2O)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC=CC=C2O)CC3=CC(=CC=C3)OC

InChI

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