Basic information
- CAS
67031-57-6- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)c1ccccc1C(=O)c1ccccc1.[Cl-]- InChIKey
GNNXZUUDKRWEKH-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO3
- Average molar mass
- 401.9 g/mol
- Monoisotopic mass
- 401.1757714
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-benzoylbenzoate chloride
Names & synonyms
67031-57-6DTXSID409859283-(2-Methylpiperidin-1-yl)propyl 2-benzoylbenzoate--hydrogen chloride (1/1)RefChem:1066558DTXCID401413117o-Benzoylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, o-BENZOYL-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67031-57-6- PubChem CID
- 48915
Properties
Computed structural properties
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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