4-methylbenzenesulfonate; 3-methyl-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-1,3-thiazol-3-ium-2-amine Openeye Name: 4-methylbenzenesulfonate; 3-methylthiazol-3-ium-2-amine CAS Name: 4-methylbenzenesulfonate; 3-methyl-2-thiazol-3-iumamine IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-1,3-thiazol-3-ium-2-amine Traditional Name: (3-methylthiazol-3-ium-2-yl)amine tosylate Formula: C11H14N2O3S2 MolecularWeight: 286.37046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C4H6N2S/c1-6-2-4-7(5-3-6)11(8,9)10;1-6-2-3-7-4(6)5/h2-5H,1H3,(H,8,9,10);2-3,5H,1H3