3-(2-Methylpiperidin-1-yl)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)
Basic information
- CAS
67049-64-3- Standard SMILES
CCOc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
PFAFKLUURDZJAE-UHFFFAOYSA-N- Molecular formula
- C18H28ClNO3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1757714
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-ethoxybenzoate chloride
Names & synonyms
67049-64-3DTXSID109860083-(2-Methylpiperidin-1-yl)propyl 4-ethoxybenzoate--hydrogen chloride (1/1)RefChem:1066587DTXCID201413197p-Ethoxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-ETHOXY-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67049-64-3- PubChem CID
- 49086
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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