5-methyl-1-(1-methylsulfanylpyridin-1-ium-2-yl)oxy-hexan-2-ol chloride

Systemtic Name: 5-methyl-1-(1-methylsulfanylpyridin-1-ium-2-yl)oxy-hexan-2-ol chloride Openeye Name: 5-methyl-1-(1-methylsulfanylpyridin-1-ium-2-yl)oxy-hexan-2-ol chloride CAS Name: 5-methyl-1-[[1-(methylthio)-2-pyridin-1-iumyl]oxy]-2-hexanol chloride IUPAC Name: 5-methyl-1-(1-methylsulfanylpyridin-1-ium-2-yl)oxyhexan-2-ol chloride Traditional Name: 5-methyl-1-[1-(methylthio)pyridin-1-ium-2-yl]oxy-hexan-2-ol chloride Formula: C13H22ClNO2S MolecularWeight: 291.83728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(COC1=CC=CC=[N+]1SC)O.[Cl-]

Isomeric SMILES

CC(C)CCC(COC1=CC=CC=[N+]1SC)O.[Cl-]

InChI

InChI=1S/C13H22NO2S.ClH/c1-11(2)7-8-12(15)10-16-13-6-4-5-9-14(13)17-3;/h4-6,9,11-12,15H,7-8,10H2,1-3H3;1H/q+1;/p-1