2-[4-(dimethylamino)-6-(trifluoromethyloxy)quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(dimethylamino)-6-(trifluoromethyloxy)quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-6-(trifluoromethoxy)quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-6-(trifluoromethoxy)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-6-(trifluoromethoxy)quinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-6-(trifluoromethoxy)quinolin-1-ium-2-yl]acetate Formula: C14H13F3N2O3 MolecularWeight: 314.25983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OC(F)(F)F)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OC(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C14H13F3N2O3/c1-19(2)12-5-8(6-13(20)21)18-11-4-3-9(7-10(11)12)22-14(15,16)17/h3-5,7H,6H2,1-2H3,(H,20,21)