magnesium; 2-(2,2-dicyclopentylethanoyloxy)ethyl-triethyl-azanium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; bromide

Systemtic Name: magnesium; 2-(2,2-dicyclopentylethanoyloxy)ethyl-triethyl-azanium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; bromide Openeye Name: magnesium; 2-(2,2-dicyclopentylacetyl)oxyethyl-triethyl-ammonium; [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; bromide CAS Name: magnesium; 2-(2,2-dicyclopentyl-1-oxoethoxy)ethyl-triethylammonium; [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate; bromide IUPAC Name: magnesium; 2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; bromide Traditional Name: magnesium; 2-(2,2-dicyclopentylacetyl)oxyethyl-triethyl-ammonium; [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate; bromide Formula: C46H70BrMgN7O10S2 MolecularWeight: 1049.4279

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Mg+2].[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Mg+2].[Br-]

InChI

InChI=1S/C20H38NO2.2C13H17N3O4S.BrH.Mg/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h17-19H,4-16H2,1-3H3;2*4-8H,9H2,1-3H3,(H,18,19,20);1H;/q+1;;;;+2/p-3