Basic information
- CAS
66902-41-8- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
XZTKARJWUQEGSB-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO2
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1965069
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2,2-diphenylacetate chloride
Names & synonyms
66902-41-8DTXSID009855203-(2-Methylpiperidin-1-yl)propyl diphenylacetate--hydrogen chloride (1/1)RefChem:1066600DTXCID501412712Diphenylacetic acid 3-(2-methylpiperidino)propyl ester hydrochlorideACETIC ACID, DIPHENYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-41-8- PubChem CID
- 48244
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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