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

Systemtic Name: ethyl 1-[8-chloranyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[8-chloro-2-(trifluoromethyl)-4-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[8-chloro-2-(trifluoromethyl)quinolin-1-ium-4-yl]isonipecotic acid ethyl ester Formula: C18H19ClF3N2O2+ MolecularWeight: 387.80387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=[NH+]C3=C2C=CC=C3Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=[NH+]C3=C2C=CC=C3Cl)C(F)(F)F

InChI

InChI=1S/C18H18ClF3N2O2/c1-2-26-17(25)11-6-8-24(9-7-11)14-10-15(18(20,21)22)23-16-12(14)4-3-5-13(16)19/h3-5,10-11H,2,6-9H2,1H3/p+1