ethanenitrile; phenylmethanesulfonate; trimethylazanium

Systemtic Name: ethanenitrile; phenylmethanesulfonate; trimethylazanium Openeye Name: acetonitrile; phenylmethanesulfonate; trimethylammonium CAS Name: acetonitrile; phenylmethanesulfonate; trimethylammonium IUPAC Name: acetonitrile; phenylmethanesulfonate; trimethylazanium Traditional Name: acetonitrile; phenylmethanesulfonate; trimethylammonium Formula: C12H20N2O3S MolecularWeight: 272.3638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.C[NH+](C)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CC#N.C[NH+](C)C.C1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C3H9N.C2H3N/c8-11(9,10)6-7-4-2-1-3-5-7;1-4(2)3;1-2-3/h1-5H,6H2,(H,8,9,10);1-3H3;1H3