(6-ethyl-4-methyl-2-oxidanyl-1-oxidanylidene-2H-pyridin-1-ium-5-yl)methanesulfonic acid

Systemtic Name: (6-ethyl-4-methyl-2-oxidanyl-1-oxidanylidene-2H-pyridin-1-ium-5-yl)methanesulfonic acid Openeye Name: (6-ethyl-2-hydroxy-4-methyl-1-oxo-2H-pyridin-1-ium-5-yl)methanesulfonic acid CAS Name: (6-ethyl-2-hydroxy-4-methyl-1-oxo-2H-pyridin-1-ium-5-yl)methanesulfonic acid IUPAC Name: (6-ethyl-2-hydroxy-4-methyl-1-oxo-2H-pyridin-1-ium-5-yl)methanesulfonic acid Traditional Name: (6-ethyl-2-hydroxy-1-keto-4-methyl-2H-pyridin-1-ium-5-yl)methanesulfonic acid Formula: C9H14NO5S+ MolecularWeight: 248.27616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC([N+]1=O)O)C)CS(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=CC([N+]1=O)O)C)CS(=O)(=O)O

InChI

InChI=1S/C9H13NO5S/c1-3-8-7(5-16(13,14)15)6(2)4-9(11)10(8)12/h4,9,11H,3,5H2,1-2H3/p+1