2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone; 4-methylbenzenesulfonate

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone; 4-methylbenzenesulfonate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone; 4-methylbenzenesulfonate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-thiophen-2-ylethanone; 4-methylbenzenesulfonate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone; 4-methylbenzenesulfonate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone tosylate Formula: C18H19NO4S3 MolecularWeight: 409.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(SC=[N+]1CC(=O)C2=CC=CS2)C

InChI

InChI=1S/C11H12NOS2.C7H8O3S/c1-8-9(2)15-7-12(8)6-10(13)11-4-3-5-14-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7H,6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1