ethyl (3R)-1-[(8-oxidanylquinolin-5-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(8-oxidanylquinolin-5-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(8-hydroxy-5-quinolyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(8-hydroxy-5-quinolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(8-hydroxyquinolin-5-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(8-hydroxy-5-quinolyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C18H22N2O3/c1-2-23-18(22)14-5-4-10-20(12-14)11-13-7-8-16(21)17-15(13)6-3-9-19-17/h3,6-9,14,21H,2,4-5,10-12H2,1H3/p+1/t14-/m1/s1