2-[4-(dimethylamino)-7-(trifluoromethyl)quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[4-(dimethylamino)-7-(trifluoromethyl)quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-7-(trifluoromethyl)quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-7-(trifluoromethyl)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-7-(trifluoromethyl)quinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-7-(trifluoromethyl)quinolin-1-ium-2-yl]acetate Formula: C14H13F3N2O2 MolecularWeight: 298.26043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O2/c1-19(2)12-6-9(7-13(20)21)18-11-5-8(14(15,16)17)3-4-10(11)12/h3-6H,7H2,1-2H3,(H,20,21)