Basic information
- CAS
67032-20-6- Standard SMILES
Cc1ccc(C(=O)OCCC[NH+]2CCCCC2C)cc1.[Cl-]- InChIKey
HLZDGAXKYOVTRY-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 4-methylbenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 4-methylbenzoate chloride
Names & synonyms
67032-20-6DTXSID009859643-(2-Methylpiperidin-1-yl)propyl 4-methylbenzoate--hydrogen chloride (1/1)RefChem:1066593DTXCID001413153p-Methylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, p-METHYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-20-6- PubChem CID
- 48997
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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