Basic information
- CAS
101931-98-0- Standard SMILES
Cl.O=C(OC1CN2CCC1CC2)C(c1ccccc1)C1CCCC1O- InChIKey
MBWGZZVPMFFOQR-UHFFFAOYSA-N- Molecular formula
- C20H28ClNO3
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1757714
Names & identifiers
- Preferred name
- Cyclopentaneacetic acid, 2-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl 2-(2-hydroxycyclopentyl)-2-phenylacetate;hydrochloride
Names & synonyms
Cyclopentaneacetic acid, 2-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride101931-98-0RefChem:335899DTXSID809068591-Azabicyclo[2.2.2]octan-3-yl (2-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
101931-98-0- PubChem CID
- 3064005
- DTXSID
DTXSID80906859
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…