methanesulfonate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol

Systemtic Name: methanesulfonate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol Openeye Name: methanesulfonate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol CAS Name: methanesulfonate; 2-(4-pyrimidin-1-iumylmethylthio)ethanol IUPAC Name: methanesulfonate; 2-(pyrimidin-1-ium-4-ylmethylsulfanyl)ethanol Traditional Name: 2-(pyrimidin-1-ium-4-ylmethylthio)ethanol mesylate Formula: C8H14N2O4S2 MolecularWeight: 266.33776

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=C[NH+]=CN=C1CSCCO

Isomeric SMILES

CS(=O)(=O)[O-].C1=C[NH+]=CN=C1CSCCO

InChI

InChI=1S/C7H10N2OS.CH4O3S/c10-3-4-11-5-7-1-2-8-6-9-7;1-5(2,3)4/h1-2,6,10H,3-5H2;1H3,(H,2,3,4)