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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(C(=CC=C2)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-3-21-16(19)13-7-5-9-17(11-13)10-12-6-4-8-14(20-2)15(12)18/h4,6,8,13,18H,3,5,7,9-11H2,1-2H3/p+1/t13-/m0/s1