Basic information
- CAS
67032-38-6- Standard SMILES
CCCCOc1ccc(C(=O)OCC(C)(C)C[NH+]2CCC(C)CC2)cc1.[Cl-]- InChIKey
WZLZEIWPOZLUQT-UHFFFAOYSA-N- Molecular formula
- C22H36ClNO3
- Average molar mass
- 398 g/mol
- Monoisotopic mass
- 397.2383717
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- [2,2-dimethyl-3-(4-methylpiperidin-1-ium-1-yl)propyl] 4-butoxybenzoate chloride
Names & synonyms
67032-38-6DTXSID109859752,2-Dimethyl-3-(4-methylpiperidin-1-yl)propyl 4-butoxybenzoate--hydrogen chloride (1/1)RefChem:1059119DTXCID301413164Benzoic acid, p-butoxy-, 2,2-dimethyl-3-(4-methylpiperidino)propyl ester, hydrochloridep-Butoxybenzoic acid 2,2-dimethyl-3-(4-methylpiperidino)propyl ester hydrochloride
Database identifiers
- CAS
67032-38-6- PubChem CID
- 49022
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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