ethyl (2R)-1-[[5-(4-fluorophenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[5-(4-fluorophenyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[5-(4-fluorophenyl)-2-hydroxy-phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[5-(4-fluorophenyl)-2-hydroxy-benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C21H25FNO3+ MolecularWeight: 358.426503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C21H24FNO3/c1-2-26-21(25)19-5-3-4-12-23(19)14-17-13-16(8-11-20(17)24)15-6-9-18(22)10-7-15/h6-11,13,19,24H,2-5,12,14H2,1H3/p+1/t19-/m1/s1