ethyl (2R)-1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(2-oxidanyl-5-pyridin-3-yl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[2-hydroxy-5-(3-pyridyl)phenyl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[2-hydroxy-5-(3-pyridinyl)phenyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(2-hydroxy-5-pyridin-3-ylphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[2-hydroxy-5-(3-pyridyl)benzyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-2-25-20(24)18-7-3-4-11-22(18)14-17-12-15(8-9-19(17)23)16-6-5-10-21-13-16/h5-6,8-10,12-13,18,23H,2-4,7,11,14H2,1H3/p+1/t18-/m1/s1