4-methylbenzenesulfonate; 1-methyl-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 4-methylbenzenesulfonate; 1-methyl-1,2,4-triazol-4-ium-4-amine Openeye Name: 4-methylbenzenesulfonate; 1-methyl-1,2,4-triazol-4-ium-4-amine CAS Name: 4-methylbenzenesulfonate; 1-methyl-1,2,4-triazol-4-ium-4-amine IUPAC Name: 4-methylbenzenesulfonate; 1-methyl-1,2,4-triazol-4-ium-4-amine Traditional Name: (1-methyl-1,2,4-triazol-4-ium-4-yl)amine tosylate Formula: C10H14N4O3S MolecularWeight: 270.30816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=[N+](C=N1)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=[N+](C=N1)N

InChI

InChI=1S/C7H8O3S.C3H7N4/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-3-7(4)2-5-6/h2-5H,1H3,(H,8,9,10);2-3H,4H2,1H3/q;+1/p-1