cyanomethylazanium; 4-methylbenzenesulfonate

Systemtic Name: cyanomethylazanium; 4-methylbenzenesulfonate Openeye Name: cyanomethylammonium; 4-methylbenzenesulfonate CAS Name: cyanomethylammonium; 4-methylbenzenesulfonate IUPAC Name: cyanomethylazanium; 4-methylbenzenesulfonate Traditional Name: cyanomethylammonium tosylate Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C#N)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C#N)[NH3+]

InChI

InChI=1S/C7H8O3S.C2H4N2/c1-6-2-4-7(5-3-6)11(8,9)10;3-1-2-4/h2-5H,1H3,(H,8,9,10);1,3H2