1-methylpyridin-1-ium-3-ol sulfate

Systemtic Name: 1-methylpyridin-1-ium-3-ol sulfate Openeye Name: 1-methylpyridin-1-ium-3-ol sulfate CAS Name: 1-methyl-3-pyridin-1-iumol sulfate IUPAC Name: 1-methylpyridin-1-ium-3-ol sulfate Traditional Name: 1-methylpyridin-1-ium-3-ol sulfate Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)O.C[N+]1=CC=CC(=C1)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)O.C[N+]1=CC=CC(=C1)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C6H7NO.H2O4S/c2*1-7-4-2-3-6(8)5-7;1-5(2,3)4/h2*2-5H,1H3;(H2,1,2,3,4)