Piperidinium, 1-(2-(2,2,4,4-tetramethylvaleryloxy)ethyl)-1-methyl-, iodide
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Basic information
- CAS
32058-55-2- Standard SMILES
CC(C)(C)CC(C)(C)C(=O)OCC[N+]1(C)CCCCC1.[I-]- InChIKey
DZOWISGOPUOEPI-UHFFFAOYSA-M- Molecular formula
- C17H34INO2
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 411.16343
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-(2,2,4,4-tetramethylvaleryloxy)ethyl)-1-methyl-, iodide
- IUPAC
- 2-(1-methylpiperidin-1-ium-1-yl)ethyl 2,2,4,4-tetramethylpentanoate iodide
- English name
- Valeric acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, methiodid e
- Molecular formula
- C17H34INO2
- Molecular weight
- 411.37
Names & synonyms
32058-55-22-Piperidinoethyl 2,2,4,4-tetramethylvalerate methiodide1-(2-(2,2,4,4-Tetramethylvaleryloxy)ethyl)-1-methylpiperidinium iodideValeric acid, 2,2,4,4-tetramethyl-, 2-piperidinoethyl ester, methiodidePiperidinium, 1-(2-(2,2,4,4-tetramethylvaleryloxy)ethyl)-1-methyl-, iodideRefChem:373395DTXSID109539321-Methyl-1-{2-[(2,2,4,4-tetramethylpentanoyl)oxy]ethyl}piperidin-1-ium iodideVALERIC ACID, 2,2,4,4-TETRAMETHYL-, 2-PIPERIDINOETHYL ESTER, METHIODID E
Database identifiers
- CAS
32058-55-2- PubChem CID
- 208368
- DTXSID
DTXSID10953932
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
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Compound notes
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