ethyl (3R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-phenethyl-piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-phenethyl-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-phenethylpiperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(2-hydroxy-3-methoxy-benzyl)-3-phenethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C24H32NO4+ MolecularWeight: 398.51518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=C(C(=CC=C2)OC)O)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=C(C(=CC=C2)OC)O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4/c1-3-29-23(27)24(15-13-19-9-5-4-6-10-19)14-8-16-25(18-24)17-20-11-7-12-21(28-2)22(20)26/h4-7,9-12,26H,3,8,13-18H2,1-2H3/p+1/t24-/m0/s1