2-(4-methylmorpholin-4-ium-4-yl)ethanenitrile; methyl sulfate

Systemtic Name: 2-(4-methylmorpholin-4-ium-4-yl)ethanenitrile; methyl sulfate Openeye Name: 2-(4-methylmorpholin-4-ium-4-yl)acetonitrile; methyl sulfate CAS Name: 2-(4-methyl-4-morpholin-4-iumyl)acetonitrile; methyl sulfate IUPAC Name: 2-(4-methylmorpholin-4-ium-4-yl)acetonitrile; methyl sulfate Traditional Name: 2-(4-methylmorpholin-4-ium-4-yl)acetonitrile; methyl sulfate Formula: C8H16N2O5S MolecularWeight: 252.28804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC#N.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CC#N.COS(=O)(=O)[O-]

InChI

InChI=1S/C7H13N2O.CH4O4S/c1-9(3-2-8)4-6-10-7-5-9;1-5-6(2,3)4/h3-7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1