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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-thiophen-2-ylethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-thiophen-2-ylethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-thienyl)ethanone bromide Formula: C11H12BrNOS2 MolecularWeight: 318.25308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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