methanesulfonate; 2-(3-methoxypyridin-1-ium-1-yl)ethanethiol

Systemtic Name: methanesulfonate; 2-(3-methoxypyridin-1-ium-1-yl)ethanethiol Openeye Name: methanesulfonate; 2-(3-methoxypyridin-1-ium-1-yl)ethanethiol CAS Name: methanesulfonate; 2-(3-methoxy-1-pyridin-1-iumyl)ethanethiol IUPAC Name: methanesulfonate; 2-(3-methoxypyridin-1-ium-1-yl)ethanethiol Traditional Name: 2-(3-methoxypyridin-1-ium-1-yl)ethanethiol mesylate Formula: C9H15NO4S2 MolecularWeight: 265.3497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C[N+](=CC=C1)CCS.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C[N+](=CC=C1)CCS.CS(=O)(=O)[O-]

InChI

InChI=1S/C8H11NOS.CH4O3S/c1-10-8-3-2-4-9(7-8)5-6-11;1-5(2,3)4/h2-4,7H,5-6H2,1H3;1H3,(H,2,3,4)