4,5-dimethyl-1,3-thiazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 4,5-dimethyl-1,3-thiazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 4,5-dimethylthiazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate CAS Name: 4,5-dimethyl-3-thiazol-3-iumamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 4,5-dimethyl-1,3-thiazol-3-ium-3-amine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (4,5-dimethylthiazol-3-ium-3-yl)amine; 2,4,6-trimethylbesylate Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.C5H9N2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-5(2)8-3-7(4)6/h4-5H,1-3H3,(H,10,11,12);3H,6H2,1-2H3/q;+1/p-1