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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-propan-1-one bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-propan-1-one bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenyl-1-propanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylpropan-1-one bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-propan-1-one bromide Formula: C14H16BrNOS MolecularWeight: 326.25194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16NOS.BrH/c1-10-12(3)17-9-15(10)11(2)14(16)13-7-5-4-6-8-13;/h4-9,11H,1-3H3;1H/q+1;/p-1