Piperidinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1-methyl-, iodide
Basic information
- CAS
33512-76-4- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(C)CCCCC1.[I-]- InChIKey
ZTTJIUJOAPZGJZ-UHFFFAOYSA-M- Molecular formula
- C18H36INO2
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.17908
Names & identifiers
- Preferred name
- Piperidinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1-methyl-, iodide
- IUPAC
- 3-(1-methylpiperidin-1-ium-1-yl)propyl 2,2,4,4-tetramethylpentanoate iodide
Names & synonyms
3-Piperidinopropyl 2,2,4,4-tetramethylvalerate methiodide33512-76-41-(2-(2,2,4,4-Tetramethylvaleryloxy)propyl)-1-methylpiperidinium iodideValeric acid, 2,2,4,4-tetramethyl-, 3-piperidinopropyl ester, methiodidePiperidinium, 1-(3-(2,2,4,4-tetramethylvaleryloxy)propyl)-1-methyl-, iodideRefChem:373448DTXSID709551391-Methyl-1-{3-[(2,2,4,4-tetramethylpentanoyl)oxy]propyl}piperidin-1-ium iodide
Database identifiers
- CAS
33512-76-4- PubChem CID
- 214591
- DTXSID
DTXSID70955139
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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