1-Azoniabicyclo(2.2.2)octane, ((diphenylacetyl)oxy)-1-methyl-, bromide
Basic information
- CAS
63716-49-4- Standard SMILES
O=C(OC[N+]12CCC(CC1)CC2)C(c1ccccc1)c1ccccc1.[Br-]- InChIKey
JRVYRBCZMGGZPZ-UHFFFAOYSA-M- Molecular formula
- C22H26BrNO2
- Average molar mass
- 416.4 g/mol
- Monoisotopic mass
- 415.11469
Names & identifiers
- Preferred name
- 1-Azoniabicyclo(2.2.2)octane, ((diphenylacetyl)oxy)-1-methyl-, bromide
- IUPAC
- 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylacetate bromide
Names & synonyms
Quinuclidinol methyl bromide diphenyl acetateRo 2-32031-AZONIABICYCLO(2.2.2)OCTANE, ((DIPHENYLACETYL)OXY)-1-METHYL-, BROMIDE63716-49-4RefChem:227756DTXSID909800891-{[(Diphenylacetyl)oxy]methyl}-1-azabicyclo[2.2.2]octan-1-ium bromide
Database identifiers
- CAS
63716-49-4- PubChem CID
- 44624
- DTXSID
DTXSID90980089
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 411
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Compound notes
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