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CHEBI:86995 - (S)-fluoxetine(1+)

ChEBI IDCHEBI:86995
ChEBI Name(S)-fluoxetine(1+)
Stars
ASCII Name(S)-fluoxetine(1+)
DefinitionAn organic cation resulting from the protonation of the amino group of (S)-fluoxetine.
Last Modified20 July 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H19F3NO
Net Charge+1
Average Mass310.339
Monoisotopic Mass310.14133
SMILESC[NH2+]CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1
InChIKeyRTHCYVBBDHJXIQ-INIZCTEOSA-O
ChEBI Ontology
Outgoing Relation(s)
(S)-fluoxetine(1+) (CHEBI:86995) is a ammonium ion derivative (CHEBI:35274)
(S)-fluoxetine(1+) (CHEBI:86995) is a organic cation (CHEBI:25697)
(S)-fluoxetine(1+) (CHEBI:86995) is conjugate acid of (S)-fluoxetine (CHEBI:86992)
(S)-fluoxetine(1+) (CHEBI:86995) is enantiomer of (R)-fluoxetine(1+) (CHEBI:86993)
Incoming Relation(s)
(S)-fluoxetine hydrochloride (CHEBI:86997) has part (S)-fluoxetine(1+) (CHEBI:86995)
(S)-fluoxetine (CHEBI:86992) is conjugate base of (S)-fluoxetine(1+) (CHEBI:86995)
(R)-fluoxetine(1+) (CHEBI:86993) is enantiomer of (S)-fluoxetine(1+) (CHEBI:86995)
IUPAC Name 
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium
Synonym  Source
(−)-fluoxetine(1+)ChEBI
Registry NumbersSources
Reaxys:25263174Reaxys