2-[4-[8-chloranyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate

Systemtic Name: 2-[4-[8-chloranyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate Openeye Name: 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolyl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolinyl]-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-[8-chloro-2-(trifluoromethyl)quinolin-4-yl]piperazin-1-ium-1-yl]ethyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid 2-[4-[8-chloro-2-(trifluoromethyl)-4-quinolyl]piperazin-1-ium-1-yl]ethyl ester Formula: C20H22ClF3N3O2+ MolecularWeight: 428.85579

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)OCC[NH+]2CCN(CC2)C3=CC(=NC4=C3C=CC=C4Cl)C(F)(F)F

Isomeric SMILES

C1CC1C(=O)OCC[NH+]2CCN(CC2)C3=CC(=NC4=C3C=CC=C4Cl)C(F)(F)F

InChI

InChI=1S/C20H21ClF3N3O2/c21-15-3-1-2-14-16(12-17(20(22,23)24)25-18(14)15)27-8-6-26(7-9-27)10-11-29-19(28)13-4-5-13/h1-3,12-13H,4-11H2/p+1