Basic information
- CAS
67032-39-7- Standard SMILES
CCCCOc1ccc(C(=O)OCCC[NH+]2C(C)CCCC2C)cc1.[Cl-]- InChIKey
PSKKUMKYNIQBAX-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO3
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2227216
Names & identifiers
- Preferred name
- 3-(2,6-Dimethylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl 4-butoxybenzoate chloride
Names & synonyms
67032-39-7DTXSID709859763-(2,6-Dimethylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)RefChem:1066448DTXCID001413165p-Butoxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-BUTOXY-, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-39-7- PubChem CID
- 49024
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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