Basic information
- Standard SMILES
COc1cccc(C(O)(c2cccc(OC)c2)C23CC[N+](CCOCc4ccccc4)(CC2)CC3)c1- InChIKey
XMUDNHXQYYVLNN-UHFFFAOYSA-N- Molecular formula
- C31H38NO4+
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- Bis(3-methoxyphenyl)-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
- IUPAC
- bis(3-methoxyphenyl)-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol
Names & synonyms
CHEMBL5237674-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane BromideCHEMBL1187845SCHEMBL17964535BDBM50267809
Database identifiers
- PubChem CID
- 11664153
- ChEMBL
CHEMBL1187845、CHEMBL523767
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 1
- Complexity
- 644
Related reactions
1 records
Compound notes
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