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

Systemtic Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(4,5-dimethylthiazol-3-ium-3-yl)ethanone bromide Formula: C13H13Br2NOS MolecularWeight: 391.12142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrNOS.BrH/c1-9-10(2)17-8-15(9)7-13(16)11-3-5-12(14)6-4-11;/h3-6,8H,7H2,1-2H3;1H/q+1;/p-1