1-Methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridinium methanesulfonate
Basic information
- Standard SMILES
CS(=O)(=O)[O-].Cc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1ccc[n+](C)c1- InChIKey
ZBKNOPXACGGGPE-UHFFFAOYSA-M- Molecular formula
- C21H24F3N3O5S
- Average molar mass
- 487.5 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridinium methanesulfonate
- IUPAC
- 3-[3,5-dimethyl-4-[3-(1-methylpyridin-1-ium-3-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;methanesulfonate
Names & synonyms
1-methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridinium methanesulfonateSCHEMBL8923464
Database identifiers
- PubChem CID
- 19082040
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 561
Related reactions
2 records
Compound notes
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