ethyl (3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(3-hydroxy-4-methoxy-benzyl)-3-(2-phenoxyethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32NO5+ MolecularWeight: 414.51458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CC(=C(C=C2)OC)O)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CC(=C(C=C2)OC)O)CCOC3=CC=CC=C3

InChI

InChI=1S/C24H31NO5/c1-3-29-23(27)24(13-15-30-20-8-5-4-6-9-20)12-7-14-25(18-24)17-19-10-11-22(28-2)21(26)16-19/h4-6,8-11,16,26H,3,7,12-15,17-18H2,1-2H3/p+1/t24-/m0/s1