ethanenitrile; hydrogen sulfate; 4-methylmorpholin-4-ium

Systemtic Name: ethanenitrile; hydrogen sulfate; 4-methylmorpholin-4-ium Openeye Name: acetonitrile; hydrogen sulfate; 4-methylmorpholin-4-ium CAS Name: acetonitrile; hydrogen sulfate; 4-methylmorpholin-4-ium IUPAC Name: acetonitrile; hydrogen sulfate; 4-methylmorpholin-4-ium Traditional Name: acetonitrile; 4-methylmorpholin-4-ium; bisulfate Formula: C7H16N2O5S MolecularWeight: 240.27734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H11NO.C2H3N.H2O4S/c1-6-2-4-7-5-3-6;1-2-3;1-5(2,3)4/h2-5H2,1H3;1H3;(H2,1,2,3,4)