4-methylbenzenesulfonate; prop-2-enenitrile; trimethylazanium

Systemtic Name: 4-methylbenzenesulfonate; prop-2-enenitrile; trimethylazanium Openeye Name: 4-methylbenzenesulfonate; prop-2-enenitrile; trimethylammonium CAS Name: 4-methylbenzenesulfonate; 2-propenenitrile; trimethylammonium IUPAC Name: 4-methylbenzenesulfonate; prop-2-enenitrile; trimethylazanium Traditional Name: acrylonitrile; trimethylammonium; tosylate Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)C.C=CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)C.C=CC#N

InChI

InChI=1S/C7H8O3S.C3H9N.C3H3N/c1-6-2-4-7(5-3-6)11(8,9)10;1-4(2)3;1-2-3-4/h2-5H,1H3,(H,8,9,10);1-3H3;2H,1H2