Basic information
- CAS
101710-75-2- Standard SMILES
O=C(OCC1=C[NH+]2CCC1CC2)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
QYGXJQLHENVCKH-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO3
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1757714
Names & identifiers
- Preferred name
- Mandelic acid, alpha-cyclopentyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride
- IUPAC
- 1-azoniabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
Mandelic acid, alpha-cyclopentyl-, (1-azabicyclo(2.2.2)oct-2-en-3-yl)methyl ester, hydrochloride3-(1-Azabicyclo(2.2.2)oct-2-ene)methyl alpha-cyclopentyl-alpha-phenylglycolate hydrochloride101710-75-2RefChem:351920
Database identifiers
- CAS
101710-75-2- PubChem CID
- 58771
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…