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

Systemtic Name: 2-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Openeye Name: 2-(2,5-dimethylthiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide CAS Name: 2-(2,5-dimethyl-3-thiazol-3-iumyl)-1-(4-iodophenyl)ethanone bromide IUPAC Name: 2-(2,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Traditional Name: 2-(2,5-dimethylthiazol-3-ium-3-yl)-1-(4-iodophenyl)ethanone bromide Formula: C13H13BrINOS MolecularWeight: 438.12189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(S1)C)CC(=O)C2=CC=C(C=C2)I.[Br-]

Isomeric SMILES

CC1=C[N+](=C(S1)C)CC(=O)C2=CC=C(C=C2)I.[Br-]

InChI

InChI=1S/C13H13INOS.BrH/c1-9-7-15(10(2)17-9)8-13(16)11-3-5-12(14)6-4-11;/h3-7H,8H2,1-2H3;1H/q+1;/p-1