methanesulfonate; 1-methyl-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium

Systemtic Name: methanesulfonate; 1-methyl-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Openeye Name: methanesulfonate; 1-methyl-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium CAS Name: methanesulfonate; 1-methyl-4-(methylthio)-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium IUPAC Name: methanesulfonate; 1-methyl-4-methylsulfanyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Traditional Name: 1-methyl-4-(methylthio)-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium mesylate Formula: C21H20F3NO3S2 MolecularWeight: 455.51361

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)SC)C3=CC(=CC=C3)C(F)(F)F.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC(=C(C(=C1)C2=CC=CC=C2)SC)C3=CC(=CC=C3)C(F)(F)F.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H17F3NS.CH4O3S/c1-24-12-17(14-7-4-3-5-8-14)19(25-2)18(13-24)15-9-6-10-16(11-15)20(21,22)23;1-5(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1