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

Systemtic Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-methyl-2-(trifluoromethyl)-4-quinolin-1-iumyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-1-ium-4-yl]isonipecotate Formula: C17H17F3N2O2 MolecularWeight: 338.32429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC(CC3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C=C2N3CCC(CC3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H17F3N2O2/c1-10-2-3-13-12(8-10)14(9-15(21-13)17(18,19)20)22-6-4-11(5-7-22)16(23)24/h2-3,8-9,11H,4-7H2,1H3,(H,23,24)