1-Methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridinium methanesulfonate

HCID 19082040
Substructure searchFind similar structures

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

Related reactions

2 records
New reaction record

Linked notes

Loading…

1-Methyl-3-[3-[4-(5-trifluoromethyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-pyridinium methanesulfonate (HCID 19082040)｜Huagongshe