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

Systemtic Name: 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl 4-chloranylbenzoate Openeye Name: 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic 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 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[methyl-[2-(trifluoromethyl)quinolin-1-ium-4-yl]amino]ethyl ester Formula: C20H17ClF3N2O2+ MolecularWeight: 409.80939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClF3N2O2/c1-26(10-11-28-19(27)13-6-8-14(21)9-7-13)17-12-18(20(22,23)24)25-16-5-3-2-4-15(16)17/h2-9,12H,10-11H2,1H3/p+1