Basic information
- CAS
101756-48-3- Standard SMILES
O=C(OC1C[NH+]2CCC1CC2)C(O)(Cc1ccccc1)c1ccccc1.[Cl-]- InChIKey
OERVNGLOOAWZAB-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO3
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1601214
Names & identifiers
- Preferred name
- Mandelic acid, alpha-benzyl-, 3-quinuclidinyl ester, hydrochloride
- IUPAC
- 1-azoniabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,3-diphenylpropanoate chloride
Names & synonyms
alpha-Benzylmandelic acid 3-quinuclidinyl ester hydrochloride3-Quinuclidyl benzylphenylglycolate hydrochlorideMANDELIC ACID, alpha-BENZYL-, 3-QUINUCLIDINYL ESTER, HYDROCHLORIDE101756-48-3RefChem:351917
Database identifiers
- CAS
101756-48-3- PubChem CID
- 58872
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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