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

Systemtic Name: 2-methyl-1,3-thiazol-3-ium; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2-methylthiazol-3-ium; 2,4,6-trimethylbenzenesulfonate CAS Name: 2-methylthiazol-3-ium; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2-methyl-1,3-thiazol-3-ium; 2,4,6-trimethylbenzenesulfonate Traditional Name: 2-methylthiazol-3-ium; 2,4,6-trimethylbesylate Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[NH+]C=CS1

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=[NH+]C=CS1

InChI

InChI=1S/C9H12O3S.C4H5NS/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-5-2-3-6-4/h4-5H,1-3H3,(H,10,11,12);2-3H,1H3