Basic information
- CAS
73747-74-7- Standard SMILES
C[NH+]1CCC(COC(=O)C(O)(c2ccccc2)C2CCCCC2)C1.[Cl-]- InChIKey
WAXMYLLMWQHLOU-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- (1-Methylpyrrolidin-3-yl)methyl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-methylpyrrolidin-1-ium-3-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
73747-74-7DTXSID30994640(1-Methylpyrrolidin-3-yl)methyl cyclohexyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1049303DTXCID501421672Mandelic acid, alpha-cyclohexyl-, 1-methyl-3-pyrrolidinylmethyl ester, hydrochlorideCyclohexaneglycolic acid, alpha-phenyl-, 1-methyl-3-pyrrolidylmethyl ester, hydrochloride
Database identifiers
- CAS
73747-74-7- PubChem CID
- 52391
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…