Basic information
- CAS
52855-22-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NC[n+]1ccccc1- InChIKey
NVUBFYYOVIBBBL-UHFFFAOYSA-O- Molecular formula
- C24H43N2O+
- Average molar mass
- 375.6 g/mol
- Monoisotopic mass
- 375.337539
Names & identifiers
- Preferred name
- Stearamidomethylpyridinium
- IUPAC
- N-(pyridin-1-ium-1-ylmethyl)octadecanamide
Names & synonyms
stearamidomethylpyridinium2J99SJR5LVSCHEMBL7868004Pyridinium, 1-(stearamidomethyl)-1-[[(1-Oxooctadecyl)amino]methyl]pyridiniumPyridinium, 1-[[(1-oxooctadecyl)amino]methyl]-52855-22-8
Database identifiers
- CAS
52855-22-8- PubChem CID
- 77945
- UNII
- 2J99SJR5LV
- Nikkaji
- J215.812D
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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