[2,2-dimethyl-3-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxy-propyl]-diethyl-methyl-azanium; methyl sulfate

Systemtic Name: [2,2-dimethyl-3-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxy-propyl]-diethyl-methyl-azanium; methyl sulfate Openeye Name: diethyl-[3-(2-hydroxy-2,2-diphenyl-acetyl)oxy-2,2-dimethyl-propyl]-methyl-ammonium; methyl sulfate CAS Name: diethyl-[3-(2-hydroxy-1-oxo-2,2-diphenylethoxy)-2,2-dimethylpropyl]-methylammonium; methyl sulfate IUPAC Name: diethyl-[3-(2-hydroxy-2,2-diphenylacetyl)oxy-2,2-dimethylpropyl]-methylazanium; methyl sulfate Traditional Name: (3-benziloyloxy-2,2-dimethyl-propyl)-diethyl-methyl-ammonium; methyl sulfate Formula: C25H37NO7S MolecularWeight: 495.62878

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C24H34NO3.CH4O4S/c1-6-25(5,7-2)18-23(3,4)19-28-22(26)24(27,20-14-10-8-11-15-20)21-16-12-9-13-17-21;1-5-6(2,3)4/h8-17,27H,6-7,18-19H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1