1-methylpyridin-1-ium-3-carboxylic acid; methyl sulfate

Systemtic Name: 1-methylpyridin-1-ium-3-carboxylic acid; methyl sulfate Openeye Name: 1-methylpyridin-1-ium-3-carboxylic acid; methyl sulfate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid; methyl sulfate IUPAC Name: 1-methylpyridin-1-ium-3-carboxylic acid; methyl sulfate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid; methyl sulfate Formula: C8H11NO6S MolecularWeight: 249.24104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO2.CH4O4S/c1-8-4-2-3-6(5-8)7(9)10;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)