2-(1-methylpyridin-1-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanol iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanol iodide Openeye Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanol iodide CAS Name: 2-(1-methyl-2-pyridin-1-iumyl)-1-[4-(methylthio)phenyl]ethanol iodide IUPAC Name: 2-(1-methylpyridin-1-ium-2-yl)-1-(4-methylsulfanylphenyl)ethanol iodide Traditional Name: 2-(1-methylpyridin-1-ium-2-yl)-1-[4-(methylthio)phenyl]ethanol iodide Formula: C15H18INOS MolecularWeight: 387.27899

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC(C2=CC=C(C=C2)SC)O.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC(C2=CC=C(C=C2)SC)O.[I-]

InChI

InChI=1S/C15H18NOS.HI/c1-16-10-4-3-5-13(16)11-15(17)12-6-8-14(18-2)9-7-12;/h3-10,15,17H,11H2,1-2H3;1H/q+1;/p-1