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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone; methanesulfonate Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone; methanesulfonate CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-thiophen-2-ylethanone; methanesulfonate IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone; methanesulfonate Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone mesylate Formula: C12H15NO4S3 MolecularWeight: 333.4468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12NOS2.CH4O3S/c1-8-9(2)15-7-12(8)6-10(13)11-4-3-5-14-11;1-5(2,3)4/h3-5,7H,6H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1