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

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenyl-butan-1-one bromide Openeye Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-butan-1-one bromide CAS Name: 2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-phenyl-1-butanone bromide IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)-1-phenylbutan-1-one bromide Traditional Name: 2-(4,5-dimethylthiazol-3-ium-3-yl)-1-phenyl-butan-1-one bromide Formula: C15H18BrNOS MolecularWeight: 340.27852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)[N+]2=CSC(=C2C)C.[Br-]

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)[N+]2=CSC(=C2C)C.[Br-]

InChI

InChI=1S/C15H18NOS.BrH/c1-4-14(16-10-18-12(3)11(16)2)15(17)13-8-6-5-7-9-13;/h5-10,14H,4H2,1-3H3;1H/q+1;/p-1