ethyl 1-[6-bromanyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-bromanyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-bromo-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-bromo-2-(trifluoromethyl)-4-quinolin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-bromo-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-bromo-2-(trifluoromethyl)quinolin-1-ium-4-yl]isonipecotic acid ethyl ester Formula: C18H19BrF3N2O2+ MolecularWeight: 432.25487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrF3N2O2/c1-2-26-17(25)11-5-7-24(8-6-11)15-10-16(18(20,21)22)23-14-4-3-12(19)9-13(14)15/h3-4,9-11H,2,5-8H2,1H3/p+1