2-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium

Systemtic Name: 2-[6-bromanyl-2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium Openeye Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolyl]sulfanyl]ethylammonium CAS Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolinyl]thio]ethylammonium IUPAC Name: 2-[6-bromo-2-(trifluoromethyl)quinolin-4-yl]sulfanylethylazanium Traditional Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinolyl]thio]ethylammonium Formula: C12H11BrF3N2S+ MolecularWeight: 352.19335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)SCC[NH3+]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CC(=N2)C(F)(F)F)SCC[NH3+]

InChI

InChI=1S/C12H10BrF3N2S/c13-7-1-2-9-8(5-7)10(19-4-3-17)6-11(18-9)12(14,15)16/h1-2,5-6H,3-4,17H2/p+1