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ethyl (3S)-1-[(3-hydroxyphenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate
ethyl (3S)-1-[(3-hydroxyphenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=CC=C2)O)CCOC3=CC=CC=C3
Isomeric SMILES
CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=CC=C2)O)CCOC3=CC=CC=C3
InChI
InChI=1S/C23H29NO4/c1-2-27-22(26)23(13-15-28-21-10-4-3-5-11-21)12-7-14-24(18-23)17-19-8-6-9-20(25)16-19/h3-6,8-11,16,25H,2,7,12-15,17-18H2,1H3/p+1/t23-/m0/s1
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