1,3-thiazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1,3-thiazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: thiazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate CAS Name: thiazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1,3-thiazol-3-ium-2,3-diamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (2-aminothiazol-3-ium-3-yl)amine; 2,4,6-trimethylbesylate Formula: C12H17N3O3S2 MolecularWeight: 315.41168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C3H5N3S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;4-3-6(5)1-2-7-3/h4-5H,1-3H3,(H,10,11,12);1-2,4H,5H2