1-Cyclohexylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
101710-78-5- Standard SMILES
O=C(OC1CC[NH+](C2CCCCC2)C1)C(O)(c1ccccc1)C1CCCC1.[Cl-]- InChIKey
DGEPCDCYOHENND-UHFFFAOYSA-N- Molecular formula
- C23H34ClNO3
- Average molar mass
- 408 g/mol
- Monoisotopic mass
- 407.2227216
Names & identifiers
- Preferred name
- 1-Cyclohexylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-cyclohexylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-78-5DTXSID009065381-Cyclohexylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1055314DTXCID901335635AHR 451alpha-Cyclopentylmandelic acid 1-cyclohexyl-3-pyrrolidinyl ester hydrochlorideMandelic acid, alpha-cyclopentyl-, 1-cyclohexyl-3-pyrrolidinyl ester, hydrochloride
Database identifiers
- CAS
101710-78-5- PubChem CID
- 58776
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 492
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Related reactions
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Compound notes
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