Basic information
- Standard SMILES
CCCCCCCCCCCCCCOc1ccc(CC(=O)NCCc2cccc[n+]2C)cc1.[I-]- InChIKey
VLDQGNCAPVXHMQ-UHFFFAOYSA-N- Molecular formula
- C30H47IN2O2
- Average molar mass
- 594.6 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-2-[2-[[[4-(tetradecyloxy)phenyl]acetyl]amino]ethyl]pyridinium iodide
- IUPAC
- N-[2-(1-methylpyridin-1-ium-2-yl)ethyl]-2-(4-tetradecoxyphenyl)acetamide iodide
Names & synonyms
CHEMBL153901SCHEMBL9306211VLDQGNCAPVXHMQ-UHFFFAOYSA-N1-Methyl-2-[2-[[[4-(tetradecyloxy)phenyl]acetyl]-amino]ethyl]pyridinium iodide1-Methyl-2-[2-[[[4-(tetradecyloxy)phenyl]acetyl]amino]ethyl]pyridinium iodide
Database identifiers
- PubChem CID
- 10031399
- ChEMBL
CHEMBL153901
Properties
Computed structural properties
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 490
Related reactions
2 records
Compound notes
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