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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-ethanone bromide Formula: C13H14BrNOS MolecularWeight: 312.22536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14NOS.BrH/c1-10-11(2)16-9-14(10)8-13(15)12-6-4-3-5-7-12;/h3-7,9H,8H2,1-2H3;1H/q+1;/p-1