2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium

Systemtic Name: 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium Openeye Name: 2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethylammonium CAS Name: 2-[[2-(trifluoromethyl)-4-quinolinyl]thio]ethylammonium IUPAC Name: 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium Traditional Name: 2-[[2-(trifluoromethyl)-4-quinolyl]thio]ethylammonium Formula: C12H12F3N2S+ MolecularWeight: 273.29729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCC[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(F)(F)F)SCC[NH3+]

InChI

InChI=1S/C12H11F3N2S/c13-12(14,15)11-7-10(18-6-5-16)8-3-1-2-4-9(8)17-11/h1-4,7H,5-6,16H2/p+1