ethyl (3S)-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-hydroxyphenyl)methyl]-3-(phenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(4-hydroxybenzyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-2-26-21(25)22(15-18-7-4-3-5-8-18)13-6-14-23(17-22)16-19-9-11-20(24)12-10-19/h3-5,7-12,24H,2,6,13-17H2,1H3/p+1/t22-/m0/s1