ethyl 4-[8-chloranyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[8-chloranyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate CAS Name: 4-[8-chloro-2-(trifluoromethyl)-4-quinolin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylate Traditional Name: 4-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18ClF3N3O2+ MolecularWeight: 388.79193

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=CC=C3Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=[NH+]C3=C2C=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3O2/c1-2-26-16(25)24-8-6-23(7-9-24)13-10-14(17(19,20)21)22-15-11(13)4-3-5-12(15)18/h3-5,10H,2,6-9H2,1H3/p+1