Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate

HCID 58728

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Basic information

CAS: 101674-29-7
Standard SMILES: C[N+](C)(C)C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1.[Br-]
InChIKey: BCYDBPGWMVRSJM-UHFFFAOYSA-M
Molecular formula: C25H28BrNO3
Average molar mass: 470.4 g/mol
Monoisotopic mass: 469.12526

Names & identifiers

Preferred name: Ammonium, (alpha-(hydroxymethyl)benzyl)trimethyl-, bromide, benzilate
IUPAC: [2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium bromide
English name: (alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide benzilate
Molecular formula: C25H28NO3.Br
Molecular weight: 470.404

Names & synonyms

101674-29-7(alpha-(Hydroxymethyl)benzyl)trimethylammonium bromide benzilateFC 649/AAMMONIUM, (alpha-(HYDROXYMETHYL)BENZYL)TRIMETHYL-, BROMIDE, BENZILATERefChem:318969DTXSID00906477[2-(2-hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazanium;bromide2-{[Hydroxy(diphenyl)acetyl]oxy}-N,N,N-trimethyl-1-phenylethan-1-aminium bromide2-{[Hydroxydi(phenyl)acetyl]oxy}-N,N,N-trimethyl-1-phenylethan-1-aminium bromide[2-(2-Hydroxy-2,2-diphenylacetyl)oxy-1-phenylethyl]-trimethylazaniumbromide

Database identifiers

CAS: 101674-29-7
PubChem CID: 58728
DTXSID: DTXSID00906477

Properties

Computed structural properties

Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 491

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