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

Systemtic Name: 3,3-dimethyl-1-[(5-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butan-2-one chloride Openeye Name: 3,3-dimethyl-1-[(5-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butan-2-one chloride CAS Name: 3,3-dimethyl-1-[(5-phenyl-1H-imidazol-3-ium-2-yl)thio]-2-butanone chloride IUPAC Name: 3,3-dimethyl-1-[(5-phenyl-1H-imidazol-3-ium-2-yl)sulfanyl]butan-2-one chloride Traditional Name: 3,3-dimethyl-1-[(5-phenyl-1H-imidazol-3-ium-2-yl)thio]butan-2-one chloride Formula: C15H19ClN2OS MolecularWeight: 310.84216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=[NH+]C=C(N1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)(C)C(=O)CSC1=[NH+]C=C(N1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C15H18N2OS.ClH/c1-15(2,3)13(18)10-19-14-16-9-12(17-14)11-7-5-4-6-8-11;/h4-9H,10H2,1-3H3,(H,16,17);1H