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

Systemtic Name: methyl hydrogen sulfate; 1-methylpyridin-1-ium-2-carbonitrile Openeye Name: methyl hydrogen sulfate; 1-methylpyridin-1-ium-2-carbonitrile CAS Name: 1-methyl-2-pyridin-1-iumcarbonitrile; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 1-methylpyridin-1-ium-2-carbonitrile Traditional Name: 1-methylpyridin-1-ium-2-carbonitrile; sulfuric acid methyl ester Formula: C8H11N2O4S+ MolecularWeight: 231.24894

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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;