Basic information
- CAS
67032-43-3- Standard SMILES
CCCCOc1ccc(C(=O)OCCC(C)[NH+]2CCCC(C)C2)cc1.[Cl-]- InChIKey
BXJRBJAIKLRAAN-UHFFFAOYSA-N- Molecular formula
- C21H34ClNO3
- Average molar mass
- 384 g/mol
- Monoisotopic mass
- 383.2227216
Names & identifiers
- Preferred name
- 3-(3-Methylpiperidin-1-yl)butyl 4-butoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(3-methylpiperidin-1-ium-1-yl)butyl 4-butoxybenzoate chloride
Names & synonyms
67032-43-3DTXSID609859803-(3-Methylpiperidin-1-yl)butyl 4-butoxybenzoate--hydrogen chloride (1/1)RefChem:1066734DTXCID801413169p-Butoxybenzoic acid 3-(3-methylpiperidino)butyl ester hydrochlorideBENZOIC ACID, p-BUTOXY-, 3-(3-METHYLPIPERIDINO)BUTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-43-3- PubChem CID
- 49032
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
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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