1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide

Systemtic Name: 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylthio)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-(2-imidazolin-1-ium-2-ylthio)ethanone bromide Formula: C11H12BrClN2OS MolecularWeight: 335.64778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C([NH2+]1)SCC(=O)C2=CC=C(C=C2)Cl.[Br-]

Isomeric SMILES

C1CN=C([NH2+]1)SCC(=O)C2=CC=C(C=C2)Cl.[Br-]

InChI

InChI=1S/C11H11ClN2OS.BrH/c12-9-3-1-8(2-4-9)10(15)7-16-11-13-5-6-14-11;/h1-4H,5-7H2,(H,13,14);1H