1-methylpyridin-1-ium-2-carbonitrile; methyl sulfate

Systemtic Name: 1-methylpyridin-1-ium-2-carbonitrile; methyl sulfate Openeye Name: 1-methylpyridin-1-ium-2-carbonitrile; methyl sulfate CAS Name: 1-methyl-2-pyridin-1-iumcarbonitrile; methyl sulfate IUPAC Name: 1-methylpyridin-1-ium-2-carbonitrile; methyl sulfate Traditional Name: 1-methylpyridin-1-ium-2-carbonitrile; methyl sulfate Formula: C8H10N2O4S MolecularWeight: 230.241

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C#N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1C#N.COS(=O)(=O)[O-]

InChI

InChI=1S/C7H7N2.CH4O4S/c1-9-5-3-2-4-7(9)6-8;1-5-6(2,3)4/h2-5H,1H3;1H3,(H,2,3,4)/q+1;/p-1