3-(3-Bromophenyl)-4-methoxy-1-methyl-5-phenylpyridinium trifluoromethanesulfonate

HCID 23345772
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Basic information

Standard SMILES
COc1c(-c2ccccc2)c[n+](C)cc1-c1cccc(Br)c1.O=S(=O)([O-])C(F)(F)F
InChIKey
JRJQCAFNJOYEGT-UHFFFAOYSA-M
Molecular formula
C20H17BrF3NO4S
Average molar mass
504.3 g/mol

Names & identifiers

Preferred name
3-(3-Bromophenyl)-4-methoxy-1-methyl-5-phenylpyridinium trifluoromethanesulfonate
IUPAC
3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridin-1-ium;trifluoromethanesulfonate

Names & synonyms

3-(3-bromophenyl)-4-methoxy-1-methyl-5-phenylpyridinium trifluoromethanesulfonateSCHEMBL11179701

Database identifiers

PubChem CID
23345772

Properties

Computed structural properties

Topological polar surface area
78.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
30

Related reactions

2 records
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Compound notes

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