1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]propan-2-one chloride

Systemtic Name: 1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]propan-2-one chloride Openeye Name: 1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]propan-2-one chloride CAS Name: 1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)thio]-2-propanone chloride IUPAC Name: 1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]propan-2-one chloride Traditional Name: 1-[(3,5-dimethyl-4-phenyl-1H-imidazol-3-ium-2-yl)thio]acetone chloride Formula: C14H17ClN2OS MolecularWeight: 296.81558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1)SCC(=O)C)C)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=C([N+](=C(N1)SCC(=O)C)C)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C14H16N2OS.ClH/c1-10(17)9-18-14-15-11(2)13(16(14)3)12-7-5-4-6-8-12;/h4-8H,9H2,1-3H3;1H