1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium chloride Openeye Name: 1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium chloride CAS Name: 1-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]pyridin-1-ium chloride IUPAC Name: 1-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-1-ium chloride Traditional Name: 1-methyl-2-[[3-(trifluoromethyl)benzyl]thio]pyridin-1-ium chloride Formula: C14H13ClF3NS MolecularWeight: 319.77293

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)C(F)(F)F.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)C(F)(F)F.[Cl-]

InChI

InChI=1S/C14H13F3NS.ClH/c1-18-8-3-2-7-13(18)19-10-11-5-4-6-12(9-11)14(15,16)17;/h2-9H,10H2,1H3;1H/q+1;/p-1