ethyl 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-chloro-8-hydroxy-7-quinolyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-8-hydroxy-7-quinolinyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-chloro-8-hydroxy-7-quinolyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H22ClN2O3+ MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=C3C=CC=NC3=C2O)Cl

InChI

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