Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-beta-yl ester, hydrochloride
Basic information
- CAS
101710-82-1- Standard SMILES
C[NH+]1C2CCCC1CC(OC(=O)C(O)(c1ccccc1)C1CCCC1)C2.[Cl-]- InChIKey
SBJYTWQWLAYQLA-UHFFFAOYSA-N- Molecular formula
- C22H32ClNO3
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.2070716
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-beta-yl ester, hydrochloride
- IUPAC
- (9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-82-19-Methyl-3-beta-granatanyl phenylcyclopentylglycolate hydrochlorideMandelic acid, alpha-cyclopentyl-, 9-methyl-9-azabicyclo(3.3.1)non-3-beta-yl ester, hydrochlorideRefChem:351924(9-methyl-9-azoniabicyclo[3.3.1]non-7-yl) 2-cyclopentyl-2-hydroxy-2-ph enyl-acetate chloride(9-methyl-9-azoniabicyclo[3.3.1]nonan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate;chloride
Database identifiers
- CAS
101710-82-1- PubChem CID
- 58783
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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