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

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

Systemtic Name:1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide
Openeye Name:1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide
CAS Name:1-methyl-4-(methylthio)-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide
IUPAC Name:1-methyl-4-methylsulfanyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide
Traditional Name:1-methyl-4-(methylthio)-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium iodide
Formula: C17H19F3INS
MolecularWeight: 453.30414
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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.[I-]


Isomeric SMILES

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


InChI

InChI=1S/C17H19F3NS.HI/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;1H/q+1;/p-1


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