Basic information
- CAS
73664-11-6- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc(=O)c(O)co1.[I-]- InChIKey
FXTFXXHAXFOISH-UHFFFAOYSA-N- Molecular formula
- C26H48INO3
- Average molar mass
- 549.6 g/mol
- Monoisotopic mass
- 549.26789
Names & identifiers
- Preferred name
- Ammonium, dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)-, iodide
- IUPAC
- (5-hydroxy-4-oxopyran-2-yl)methyl-dimethyl-octadecylazanium iodide
Names & synonyms
Dimethyloctadecylkojylammonium iodideNSC 22125973664-11-6Dimethyloctadecyl(5-hydroxy-4-oxo-2-pyranylmethyl)ammonium iodide4H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodideAMMONIUM, DIMETHYLOCTADECYL(5-HYDROXY-4-OXO-2-PYRANYLMETHYL)-, IODIDERefChem:3193464H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodide (9CI)NSC-221259TJ5T7M3CYGNSC221259WLN: T6O DVJ B1K1&1&18 EQ &I
Show more names
4H-Pyran-2-methanaminium,N-dimethyl-N-octadecyl-4-oxo-, iodide4H-Pyran-2-methanaminium, 5-hydroxy-N,N-dimethyl-N-octadecyl-4-oxo-, iodide (1:1)
Database identifiers
- CAS
73664-11-6- PubChem CID
- 52027
- UNII
- TJ5T7M3CYG
Properties
Computed structural properties
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 522
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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