1-Ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1h-imidazol-1-ium ethyl sulfate
Basic information
- Standard SMILES
CCOS(=O)(=O)[O-].CC[N+]1(CCO)CCN=C1CCCCCCCCCCCCCCC(C)C- InChIKey
ZLIUGCVPPWCSGV-UHFFFAOYSA-M- Molecular formula
- C26H54N2O5S
- Average molar mass
- 506.8 g/mol
- Monoisotopic mass
- 506.375344
Names & identifiers
- Preferred name
- 1-Ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1h-imidazol-1-ium ethyl sulfate
- IUPAC
- 2-[1-ethyl-2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanol;ethyl sulfate
Names & synonyms
1H-Imidazolium, 1-ethyl-4,5-dihydro-1-(2-hydroxyethyl)-2-isoheptadecyl-, ethyl sulfate1-ethyl-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-4,5-dihydro-1h-imidazol-1-ium ethyl sulfateSCHEMBL2218798DTXSID901357338
Database identifiers
- PubChem CID
- 105486
- DTXSID
DTXSID901357338
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 19
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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