ethyl (3S)-1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(5-chloro-8-hydroxy-7-quinolyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(5-chloro-8-hydroxy-7-quinolinyl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(5-chloro-8-hydroxy-7-quinolyl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=C3C=CC=NC3=C2O)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C3C=CC=NC3=C2O)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-2-24-18(23)12-5-4-8-21(10-12)11-13-9-15(19)14-6-3-7-20-16(14)17(13)22/h3,6-7,9,12,22H,2,4-5,8,10-11H2,1H3/p+1/t12-/m0/s1