Basic information
- CAS
102585-55-7- Standard SMILES
C[NH+](C)CCCOC(=O)C(c1ccccc1)C1(O)CCCC1.[Cl-]- InChIKey
LYFLXLHVJQQGAD-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1757714
Names & identifiers
- Preferred name
- 3-(Dimethylamino)propyl (1-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 3-[2-(1-hydroxycyclopentyl)-2-phenylacetyl]oxypropyl-dimethylazanium chloride
Names & synonyms
102585-55-7DTXSID609078643-(Dimethylamino)propyl (1-hydroxycyclopentyl)(phenyl)acetate--hydrogen chloride (1/1)RefChem:1067111DTXCID9013369523-(Dimethylamino)propyl (1-hydroxycyclopentyl)phenylacetate hydrochlorideAcetic acid, 2-(1-hydroxycyclopentyl)-2-phenyl, 3-(dimethylamino)propyl ester, hydrochloride
Database identifiers
- CAS
102585-55-7- PubChem CID
- 59611
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…