Basic information
- CAS
67031-90-7- Standard SMILES
CC1CCCC[NH+]1CCCCOC(=O)c1ccccc1.[Cl-]- InChIKey
VFGHAKXEHYZFFZ-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 4-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 4-(2-methylpiperidin-1-ium-1-yl)butyl benzoate chloride
Names & synonyms
67031-90-7DTXSID509859394-(2-Methylpiperidin-1-yl)butyl benzoate--hydrogen chloride (1/1)RefChem:1069843DTXCID701413128BENZOIC ACID, 4-(2-METHYLPIPERIDINO)BUTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-90-7- PubChem CID
- 48957
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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