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

Systemtic Name: 1-thiophen-2-yl-2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(2-thienyl)-2-(2,4,5-trimethylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-thiophen-2-yl-2-(2,4,5-trimethyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-thiophen-2-yl-2-(2,4,5-trimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(2-thienyl)-2-(2,4,5-trimethylthiazol-3-ium-3-yl)ethanone bromide Formula: C12H14BrNOS2 MolecularWeight: 332.27966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NOS2.BrH/c1-8-9(2)16-10(3)13(8)7-11(14)12-5-4-6-15-12;/h4-6H,7H2,1-3H3;1H/q+1;/p-1