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

Systemtic Name: 1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Openeye Name: 1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium CAS Name: 1-methyl-4-(methylthio)-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium IUPAC Name: 1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Traditional Name: 1-methyl-4-(methylthio)-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium Formula: C17H19F3NS+ MolecularWeight: 326.39967

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C(F)(F)F)SC

Isomeric SMILES

CCCC1=C(C(=C[N+](=C1)C)C2=CC(=CC=C2)C(F)(F)F)SC

InChI

InChI=1S/C17H19F3NS/c1-4-6-13-10-21(2)11-15(16(13)22-3)12-7-5-8-14(9-12)17(18,19)20/h5,7-11H,4,6H2,1-3H3/q+1