1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)
Basic information
- CAS
63977-76-4- Standard SMILES
C[N+]1(Cc2ccccc2)C2CCC1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]- InChIKey
KPCLDXRCQCEGKE-UHFFFAOYSA-M- Molecular formula
- C29H32BrNO3
- Average molar mass
- 522.5 g/mol
- Monoisotopic mass
- 521.15656
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)
- IUPAC
- (8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Names & synonyms
1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)63977-76-4RefChem:1054825N-220N-294DTXSID509814361-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-alpha-hydroxy-, bromide, benzilate (ester)63977-77-58-Benzyl-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide8-Benzyl-3-{[hydroxydi(phenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
Database identifiers
- CAS
63977-76-4、63977-77-5- PubChem CID
- 115442
- DTXSID
DTXSID50981436
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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