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Basic information
- Standard SMILES
COc1cccc(C(O)(c2cccc(OC)c2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)c1.[Br-]- InChIKey
FQGXKIQQELWWLZ-UHFFFAOYSA-M- Molecular formula
- C31H38BrNO4
- Average molar mass
- 568.5 g/mol
Names & identifiers
- Preferred name
- 4-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane Bromide
- IUPAC
- bis(3-methoxyphenyl)-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide
Names & synonyms
CHEMBL5237674-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane BromideSCHEMBL4216132FQGXKIQQELWWLZ-UHFFFAOYSA-M
Database identifiers
- PubChem CID
- 11664152
- ChEMBL
CHEMBL523767
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 644
Related reactions
8 records
Compound notes
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