[(3R)-1-ethylpiperidin-1-ium-3-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate Openeye Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2-chlorophenyl)-4-quinolinecarboxylic acid [(3R)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-ethylpiperidin-1-ium-3-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2-chlorophenyl)cinchoninic acid [(3R)-1-ethylpiperidin-1-ium-3-yl] ester Formula: C23H24ClN2O2+ MolecularWeight: 395.90186

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

Isomeric SMILES

CC[NH+]1CCC[C@H](C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H23ClN2O2/c1-2-26-13-7-8-16(15-26)28-23(27)19-14-22(18-10-3-5-11-20(18)24)25-21-12-6-4-9-17(19)21/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3/p+1/t16-/m1/s1