Penoctonium
Basic information
- CAS
17088-74-3- Standard SMILES
CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1- InChIKey
JQVBGTKMTRKHML-UHFFFAOYSA-N- Molecular formula
- C26H50NO2+
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 408.38415484
Overview
RN given refers to bromide
Names & identifiers
- Preferred name
- Penoctonium
- IUPAC
- 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium
Names & synonyms
PenoctoniumPenoctonium ionPenoctonium cation5VT390WD2G17088-74-3Diethyl(2-hydroxyethyl)octyl ammonium dicyclopentylacetateDTXSID10168963RefChem:171254DTXCID3091454UNII-5VT390WD2G2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazaniumCHEMBL2110697
Show more names
SCHEMBL29388602Q27262935N-{2-[(Dicyclopentylacetyl)oxy]ethyl}-N,N-diethyloctan-1-aminium
Database identifiers
- CAS
17088-74-3- PubChem CID
- 71691
- DTXSID
DTXSID10168963- ChEMBL
CHEMBL2110697- UNII
- 5VT390WD2G
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 418
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Related reactions
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Compound notes
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