ethanenitrile; 4-methylmorpholin-4-ium; methyl sulfate

Systemtic Name: ethanenitrile; 4-methylmorpholin-4-ium; methyl sulfate Openeye Name: acetonitrile; 4-methylmorpholin-4-ium; methyl sulfate CAS Name: acetonitrile; 4-methylmorpholin-4-ium; methyl sulfate IUPAC Name: acetonitrile; 4-methylmorpholin-4-ium; methyl sulfate Traditional Name: acetonitrile; 4-methylmorpholin-4-ium; methyl sulfate Formula: C8H18N2O5S MolecularWeight: 254.30392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11NO.C2H3N.CH4O4S/c1-6-2-4-7-5-3-6;1-2-3;1-5-6(2,3)4/h2-5H2,1H3;1H3;1H3,(H,2,3,4)