methyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate

Systemtic Name: methyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Openeye Name: methyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid methyl ester; methyl sulfate IUPAC Name: methyl 1-methylpyridin-1-ium-3-carboxylate; methyl sulfate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid methyl ester; methyl sulfate Formula: C9H13NO6S MolecularWeight: 263.26762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10NO2.CH4O4S/c1-9-5-3-4-7(6-9)8(10)11-2;1-5-6(2,3)4/h3-6H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1