methanesulfonate; 2-pyridin-1-ium-1-ylethanethiol

Systemtic Name: methanesulfonate; 2-pyridin-1-ium-1-ylethanethiol Openeye Name: methanesulfonate; 2-pyridin-1-ium-1-ylethanethiol CAS Name: methanesulfonate; 2-(1-pyridin-1-iumyl)ethanethiol IUPAC Name: methanesulfonate; 2-pyridin-1-ium-1-ylethanethiol Traditional Name: 2-pyridin-1-ium-1-ylethanethiol mesylate Formula: C8H13NO3S2 MolecularWeight: 235.32372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NS.CH4O3S/c9-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5H,6-7H2;1H3,(H,2,3,4)