magnesium bis(oxidanidyl)-(5-oxidanylidenehexan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: magnesium bis(oxidanidyl)-(5-oxidanylidenehexan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: magnesium benzyl-(1-methyl-4-oxo-pentyl)-dioxido-ammonium chloride CAS Name: magnesium dioxido-(5-oxohexan-2-yl)-(phenylmethyl)ammonium chloride IUPAC Name: magnesium benzyl-dioxido-(5-oxohexan-2-yl)azanium chloride Traditional Name: magnesium benzyl-(4-keto-1-methyl-pentyl)-dioxido-ammonium chloride Formula: C13H18ClMgNO3 MolecularWeight: 296.04492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)C)[N+](CC1=CC=CC=C1)([O-])[O-].[Mg+2].[Cl-]

Isomeric SMILES

CC(CCC(=O)C)[N+](CC1=CC=CC=C1)([O-])[O-].[Mg+2].[Cl-]

InChI

InChI=1S/C13H18NO3.ClH.Mg/c1-11(8-9-12(2)15)14(16,17)10-13-6-4-3-5-7-13;;/h3-7,11H,8-10H2,1-2H3;1H;/q-1;;+2/p-1