Basic information
- CAS
66902-60-1- Standard SMILES
CC1CCCC(C)[NH+]1CCCOC(=O)Cc1ccccc1.[Cl-]- InChIKey
CTACUHYCOFPQTL-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Acetic acid, phenyl-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 2-phenylacetate chloride
Names & synonyms
ACETIC ACID, PHENYL-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE66902-60-1RefChem:1075840Phenylacetic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride
Database identifiers
- CAS
66902-60-1- PubChem CID
- 48276
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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