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

Systemtic Name: ethyl 1-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)-4-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)quinolin-1-ium-4-yl]isonipecotic acid ethyl ester Formula: C18H20F3N2O2+ MolecularWeight: 353.35881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O2/c1-2-25-17(24)12-7-9-23(10-8-12)15-11-16(18(19,20)21)22-14-6-4-3-5-13(14)15/h3-6,11-12H,2,7-10H2,1H3/p+1