Basic information
- CAS
8058-76-2- Standard SMILES
C[N+](C)(C)CCOC(=O)C(O)(C1=CC2CCC1C2)c1ccccc1.[Br-]- InChIKey
JRAJKYFPWBIRJD-UHFFFAOYSA-M- Molecular formula
- C20H28BrNO3
- Average molar mass
- 410.3 g/mol
- Monoisotopic mass
- 409.12526
Names & identifiers
- Preferred name
- 2-{[(Bicyclo[2.2.1]hept-2-en-2-yl)(hydroxy)phenylacetyl]oxy}-N,N,N-trimethylethan-1-aminium bromide
- IUPAC
- 2-[2-(2-bicyclo[2.2.1]hept-2-enyl)-2-hydroxy-2-phenylacetyl]oxyethyl-trimethylazanium bromide
Names & synonyms
2-{[(Bicyclo[2.2.1]hept-2-en-2-yl)(hydroxy)phenylacetyl]oxy}-N,N,N-trimethylethan-1-aminium bromide8058-76-2DTXSID0010013242-{[(Bicyclo[2.2.1]hept-2-en-2-yl)(hydroxy)(phenyl)acetyl]oxy}-N,N,N-trimethylethan-1-aminium bromide
Database identifiers
- CAS
8058-76-2- PubChem CID
- 24708
- DTXSID
DTXSID001001324
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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