1-(2-methyl-1,3-thiazol-3-ium-4-yl)ethanone bromide

Systemtic Name: 1-(2-methyl-1,3-thiazol-3-ium-4-yl)ethanone bromide Openeye Name: 1-(2-methylthiazol-3-ium-4-yl)ethanone bromide CAS Name: 1-(2-methyl-4-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(2-methyl-1,3-thiazol-3-ium-4-yl)ethanone bromide Traditional Name: 1-(2-methylthiazol-3-ium-4-yl)ethanone bromide Formula: C6H8BrNOS MolecularWeight: 222.10282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CS1)C(=O)C.[Br-]

Isomeric SMILES

CC1=[NH+]C(=CS1)C(=O)C.[Br-]

InChI

InChI=1S/C6H7NOS.BrH/c1-4(8)6-3-9-5(2)7-6;/h3H,1-2H3;1H