ethyl (2R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-vanillylpiperidin-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=CC(=C(C=C2)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-3-21-16(19)13-6-4-5-9-17(13)11-12-7-8-14(18)15(10-12)20-2/h7-8,10,13,18H,3-6,9,11H2,1-2H3/p+1/t13-/m1/s1