3-(4-methylpyridin-1-ium-1-yl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-(4-methylpyridin-1-ium-1-yl)-2-oxidanyl-propane-1-sulfonate Openeye Name: 2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 2-hydroxy-3-(4-methyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C9H13NO4S MolecularWeight: 231.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C9H13NO4S/c1-8-2-4-10(5-3-8)6-9(11)7-15(12,13)14/h2-5,9,11H,6-7H2,1H3