azanylidyneazanium; ethanenitrile; 4-methylbenzenesulfonate; trimethylazanium

Systemtic Name: azanylidyneazanium; ethanenitrile; 4-methylbenzenesulfonate; trimethylazanium Openeye Name: acetonitrile; 4-methylbenzenesulfonate; nitridoammonium; trimethylammonium CAS Name: acetonitrile; 4-methylbenzenesulfonate; nitriloammonium; trimethylammonium IUPAC Name: acetonitrile; azanylidyneazanium; 4-methylbenzenesulfonate; trimethylazanium Traditional Name: acetonitrile; nitriloammonium; trimethylammonium; ditosylate Formula: C19H28N4O6S2 MolecularWeight: 472.57882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.C3H9N.C2H3N.N2/c2*1-6-2-4-7(5-3-6)11(8,9)10;1-4(2)3;1-2-3;1-2/h2*2-5H,1H3,(H,8,9,10);1-3H3;1H3;