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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyridin-2-yl-ethanone bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-pyridyl)ethanone bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-(2-pyridinyl)ethanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-pyridin-2-ylethanone bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-(2-pyridyl)ethanone bromide Formula: C12H13BrN2OS MolecularWeight: 313.21342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=N2)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC=CC=N2)C.[Br-]

InChI

InChI=1S/C12H13N2OS.BrH/c1-9-10(2)16-8-14(9)7-12(15)11-5-3-4-6-13-11;/h3-6,8H,7H2,1-2H3;1H/q+1;/p-1