5-chloranyl-7-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-(4-methylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-methyl-1-piperidin-1-iumyl)-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-methylpiperidin-1-ium-1-yl)-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-(4-methylpiperidin-1-ium-1-yl)-(2-pyridyl)methyl]quinolin-8-olate Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C21H22ClN3O/c1-14-7-11-25(12-8-14)20(18-6-2-3-9-23-18)16-13-17(22)15-5-4-10-24-19(15)21(16)26/h2-6,9-10,13-14,20,26H,7-8,11-12H2,1H3/t20-/m0/s1