Ammonium, diethyl(2,2-dimethyl-3-hydroxypropyl)methyl-, methyl sulfate, benzilate (ester)

HCID 48323

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Basic information

CAS: 66902-90-7
Standard SMILES: CC[N+](C)(CC)CC(C)(C)COC(=O)C(O)(c1ccccc1)c1ccccc1.COS(=O)(=O)[O-]
InChIKey: SLNFUCLHNSAKRK-UHFFFAOYSA-M
Molecular formula: C25H37NO7S
Average molar mass: 495.6 g/mol
Monoisotopic mass: 495.22907369

Names & identifiers

Preferred name: Ammonium, diethyl(2,2-dimethyl-3-hydroxypropyl)methyl-, methyl sulfate, benzilate (ester)
IUPAC: diethyl-[3-(2-hydroxy-2,2-diphenylacetyl)oxy-2,2-dimethylpropyl]-methylazanium;methyl sulfate

Names & synonyms

66902-90-7Ammonium, diethyl(2,2-dimethyl-3-hydroxypropyl)methyl-, methyl sulfate, benzilate (ester)DTXSID50217045Benzilsaeure-(3-methyldiaethylammonium-2,2-dimethyl-1-propanol)-ester-methylsulfat [German]Benzilsaeure-(3-methyldiaethylammonium-2,2-dimethyl-1-propanol)-ester-methylsulfatRefChem:319204DTXCID50139536N,N-Diethyl-3-{[hydroxydi(phenyl)acetyl]oxy}-N,2,2-trimethylpropan-1-aminium methyl sulfate

Database identifiers

CAS: 66902-90-7
PubChem CID: 48323
DTXSID: DTXSID50217045

Properties

Computed structural properties

Topological polar surface area: 121 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 559

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