2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)-1-phenyl-ethanone chloride

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)-1-phenyl-ethanone chloride Openeye Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)-1-phenyl-ethanone chloride CAS Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylthio)-1-phenylethanone chloride IUPAC Name: 2-(4,5-dihydro-1H-imidazol-1-ium-2-ylsulfanyl)-1-phenylethanone chloride Traditional Name: 2-(2-imidazolin-1-ium-2-ylthio)-1-phenyl-ethanone chloride Formula: C11H13ClN2OS MolecularWeight: 256.75172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2OS.ClH/c14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11;/h1-5H,6-8H2,(H,12,13);1H