2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanesulfonic acid

Systemtic Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanesulfonic acid Openeye Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanesulfonic acid CAS Name: 2-[4-(methylthio)-1-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanesulfonic acid Traditional Name: 2-[4-(methylthio)pyridin-1-ium-1-yl]ethanesulfonic acid Formula: C8H12NO3S2+ MolecularWeight: 234.31578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3S2/c1-13-8-2-4-9(5-3-8)6-7-14(10,11)12/h2-5H,6-7H2,1H3/p+1