methanesulfonate; 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanethiol

Systemtic Name: methanesulfonate; 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanethiol Openeye Name: methanesulfonate; 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanethiol CAS Name: methanesulfonate; 2-[4-(methylthio)-1-pyridin-1-iumyl]ethanethiol IUPAC Name: methanesulfonate; 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanethiol Traditional Name: 2-[4-(methylthio)pyridin-1-ium-1-yl]ethanethiol mesylate Formula: C9H15NO3S3 MolecularWeight: 281.4153

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C=C1)CCS.CS(=O)(=O)[O-]

Isomeric SMILES

CSC1=CC=[N+](C=C1)CCS.CS(=O)(=O)[O-]

InChI

InChI=1S/C8H11NS2.CH4O3S/c1-11-8-2-4-9(5-3-8)6-7-10;1-5(2,3)4/h2-5H,6-7H2,1H3;1H3,(H,2,3,4)