3-[(1-methylsulfanylpyridin-1-ium-3-yl)methyl]benzene-1,2-diol

Systemtic Name: 3-[(1-methylsulfanylpyridin-1-ium-3-yl)methyl]benzene-1,2-diol Openeye Name: 3-[(1-methylsulfanylpyridin-1-ium-3-yl)methyl]benzene-1,2-diol CAS Name: 3-[[1-(methylthio)-3-pyridin-1-iumyl]methyl]benzene-1,2-diol IUPAC Name: 3-[(1-methylsulfanylpyridin-1-ium-3-yl)methyl]benzene-1,2-diol Traditional Name: 3-[[1-(methylthio)pyridin-1-ium-3-yl]methyl]pyrocatechol Formula: C13H14NO2S+ MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

CS[N+]1=CC=CC(=C1)CC2=C(C(=CC=C2)O)O

Isomeric SMILES

CS[N+]1=CC=CC(=C1)CC2=C(C(=CC=C2)O)O

InChI

InChI=1S/C13H13NO2S/c1-17-14-7-3-4-10(9-14)8-11-5-2-6-12(15)13(11)16/h2-7,9H,8H2,1H3,(H-,15,16)/p+1