Basic information
- CAS
101710-80-9- Standard SMILES
CC1(C)CCC[NH+]1CCOC(=O)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
GSAAOERVBHYCMM-UHFFFAOYSA-N- Molecular formula
- C21H32ClNO3
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.2070716
Names & identifiers
- Preferred name
- 2-(2,2-Dimethylpyrrolidin-1-yl)ethyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- 2-(2,2-dimethylpyrrolidin-1-ium-1-yl)ethyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-80-9DTXSID709065402-(2,2-Dimethylpyrrolidin-1-yl)ethyl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1060720DTXCID3013356372-(2,2-Dimethyl-1-pyrrolidinyl)ethyl alpha-cyclopentylmandelate hydrochloridePyrrolidine methanol, alpha-isopropyl-, alpha-cyclopentylmandelate hydrochlorideMandelic acid, alpha-cyclopentyl-, 2-(2,2-dimethyl-1-pyrrolidinyl)ethyl ester, hydrochloride
Database identifiers
- CAS
101710-80-9- PubChem CID
- 58780
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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