4-methylbenzenesulfonate; 1,3,5-trimethyl-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-1,2,4-triazol-4-ium-4-amine Openeye Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-1,2,4-triazol-4-ium-4-amine CAS Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-1,2,4-triazol-4-ium-4-amine IUPAC Name: 4-methylbenzenesulfonate; 1,3,5-trimethyl-1,2,4-triazol-4-ium-4-amine Traditional Name: (1,3,5-trimethyl-1,2,4-triazol-4-ium-4-yl)amine tosylate Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NN(C(=[N+]1N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=NN(C(=[N+]1N)C)C

InChI

InChI=1S/C7H8O3S.C5H11N4/c1-6-2-4-7(5-3-6)11(8,9)10;1-4-7-8(3)5(2)9(4)6/h2-5H,1H3,(H,8,9,10);6H2,1-3H3/q;+1/p-1