Basic information
- CAS
67032-08-0- Standard SMILES
CC1CCCC[NH+]1CCCOC(=O)c1ccccc1I.[Cl-]- InChIKey
WUJRYZYTQDVBBX-UHFFFAOYSA-N- Molecular formula
- C16H23ClINO2
- Average molar mass
- 423.71 g/mol
- Monoisotopic mass
- 423.0462
Names & identifiers
- Preferred name
- 3-(2-Methylpiperidin-1-yl)propyl 2-iodobenzoate--hydrogen chloride (1/1)
- IUPAC
- 3-(2-methylpiperidin-1-ium-1-yl)propyl 2-iodobenzoate chloride
Names & synonyms
67032-08-0DTXSID909859533-(2-Methylpiperidin-1-yl)propyl 2-iodobenzoate--hydrogen chloride (1/1)RefChem:1066563DTXCID701413142o-Iodobenzoic acid 3-(2-methylpiperidino)propyl ester hydrochlorideBENZOIC ACID, o-IODO-, 3-(2-METHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-08-0- PubChem CID
- 48980
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
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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