5-chloranyl-7-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-yl-methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-yl-methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-p-tolyl(pyrrolidin-1-ium-1-yl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-(4-methylphenyl)-(1-pyrrolidin-1-iumyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-p-tolyl(pyrrolidin-1-ium-1-yl)methyl]quinolin-8-olate Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2[O-])Cl)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC(=C3C=CC=NC3=C2[O-])Cl)[NH+]4CCCC4

InChI

InChI=1S/C21H21ClN2O/c1-14-6-8-15(9-7-14)20(24-11-2-3-12-24)17-13-18(22)16-5-4-10-23-19(16)21(17)25/h4-10,13,20,25H,2-3,11-12H2,1H3/t20-/m0/s1