Basic information
- CAS
67049-49-4- Standard SMILES
CCCCCCOc1ccc(C(=O)OCCC[NH+]2C(C)CCCC2C)cc1.[Cl-]- InChIKey
KHIXPLNSPBXQAX-UHFFFAOYSA-N- Molecular formula
- C23H38ClNO3
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.2540218
Names & identifiers
- Preferred name
- 3-(2,6-Dimethylpiperidin-1-yl)propyl 4-(hexyloxy)benzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-hexoxybenzoate chloride
Names & synonyms
67049-49-4DTXSID709859963-(2,6-Dimethylpiperidin-1-yl)propyl 4-(hexyloxy)benzoate--hydrogen chloride (1/1)RefChem:1066447DTXCID201413185p-Hexyloxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-HEXYLOXY-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67049-49-4- PubChem CID
- 49065
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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