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

Systemtic Name: ethyl (2R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-3-21-16(19)13-8-4-5-10-17(13)11-12-7-6-9-14(20-2)15(12)18/h6-7,9,13,18H,3-5,8,10-11H2,1-2H3/p+1/t13-/m1/s1