CHEBI:44394 - m-trimethylammonio(2,2,2-trifluoro-1,1-dihydroxyethyl)benzene

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ChEBI Name m-trimethylammonio(2,2,2-trifluoro-1,1-dihydroxyethyl)benzene
ChEBI ID CHEBI:44394
ChEBI ASCII Name m-trimethylammonio(2,2,2-trifluoro-1,1-dihydroxyethyl)benzene
Definition A quaternary ammonium ion that is the N,N,N-trimethyl derivative of 3-(2,2,2-trifluoro-1,1-dihydroxyethyl)aniline.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H15F3NO2
Net Charge +1
Average Mass 250.23755
Monoisotopic Mass 250.10494
InChI InChI=1S/C11H15F3NO2/c1-15(2,3)9-6-4-5-8(7-9)10(16,17)11(12,13)14/h4-7,16-17H,1-3H3/q+1
InChIKey KGVDBJQLTHWAJF-UHFFFAOYSA-N
SMILES C[N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F
ChEBI Ontology
Outgoing m-trimethylammonio(2,2,2-trifluoro-1,1-dihydroxyethyl)benzene (CHEBI:44394) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name
N,N,N-trimethyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)anilinium
Synonym Source
M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE PDBeChem
Manual Xref Database
NAF PDBeChem
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Last Modified
05 December 2011