2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl benzoate

Systemtic Name: 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl benzoate Openeye Name: 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl benzoate CAS Name: benzoic acid 2-[methyl-[2-(trifluoromethyl)-4-quinolin-1-iumyl]amino]ethyl ester IUPAC Name: 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl benzoate Traditional Name: benzoic acid 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl ester Formula: C20H18F3N2O2+ MolecularWeight: 375.36433

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=CC=CC=C1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CN(CCOC(=O)C1=CC=CC=C1)C2=CC(=[NH+]C3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C20H17F3N2O2/c1-25(11-12-27-19(26)14-7-3-2-4-8-14)17-13-18(20(21,22)23)24-16-10-6-5-9-15(16)17/h2-10,13H,11-12H2,1H3/p+1