Ammonium, dimethylethyl(2-hydroxyethyl)-, bromide, benzilate

HCID 41288

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Basic information

CAS: 55019-65-3
Standard SMILES: CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: DJNGYGVBHDGVEJ-UHFFFAOYSA-M
Molecular formula: C20H26BrNO3
Average molar mass: 408.3 g/mol
Monoisotopic mass: 407.10961

Names & identifiers

Preferred name: Ammonium, dimethylethyl(2-hydroxyethyl)-, bromide, benzilate
IUPAC: ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium bromide

Names & synonyms

AMMONIUM, DIMETHYLETHYL(2-HYDROXYETHYL)-, BROMIDE, BENZILATERefChem:1076879Dimethylethyl(2-hydroxyethyl)ammonium benzilate bromide55019-65-3Benzilsaeure-aethyl-dimethyl-ammonium-aethylester-bromide [German]Benzilsaeure-aethyl-dimethyl-ammonium-aethylester-bromideDTXSID60970376N-Ethyl-2-{[hydroxy(diphenyl)acetyl]oxy}-N,N-dimethylethan-1-aminium bromideN-Ethyl-2-{[hydroxydi(phenyl)acetyl]oxy}-N,N-dimethylethan-1-aminium bromide

Database identifiers

CAS: 55019-65-3
PubChem CID: 41288
DTXSID: DTXSID60970376

Properties

Computed structural properties

Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 378

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