Basic information
- CAS
56232-06-5- Standard SMILES
CCC1[NH+](C)C2CCCC1(c1cccc(OC(C)=O)c1)C2.[Br-]- InChIKey
WDUWRSVIGBZYJX-UHFFFAOYSA-N- Molecular formula
- C18H26BrNO2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.11469
Names & identifiers
- Preferred name
- 6-Azabicyclo(3.2.1)octane, 7-ethyl-1-(m-hydroxyphenyl)-6-methyl-, acetate (ester), hydrobromide
- IUPAC
- [3-(7-ethyl-6-methyl-6-azoniabicyclo[3.2.1]octan-1-yl)phenyl] acetate bromide
Names & synonyms
56232-06-56-Azabicyclo(3.2.1)octane, 7-ethyl-1-(m-hydroxyphenyl)-6-methyl-, acetate (ester), hydrobromideRefChem:307197
Database identifiers
- CAS
56232-06-5- PubChem CID
- 41808
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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