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CHEBI:77405 - (R)-citalopram(1+)

ChEBI IDCHEBI:77405
ChEBI Name(R)-citalopram(1+)
Stars
ASCII Name(R)-citalopram(1+)
DefinitionA 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium resulting from the protonation of the tertiary amino group of (R)-citalopram.
Last Modified21 February 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H22FN2O
Net Charge+1
Average Mass325.407
Monoisotopic Mass325.17107
SMILESC[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/p+1/t20-/m1/s1
InChIKeyWSEQXVZVJXJVFP-HXUWFJFHSA-O
ChEBI Ontology
Outgoing Relation(s)
(R)-citalopram(1+) (CHEBI:77405) is a 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium (CHEBI:77408)
(R)-citalopram(1+) (CHEBI:77405) is conjugate acid of (R)-citalopram (CHEBI:36792)
(R)-citalopram(1+) (CHEBI:77405) is enantiomer of escitalopram(1+) (CHEBI:77406)
Incoming Relation(s)
citalopram(1+) (CHEBI:77407) has part (R)-citalopram(1+) (CHEBI:77405)
(R)-citalopram (CHEBI:36792) is conjugate base of (R)-citalopram(1+) (CHEBI:77405)
escitalopram(1+) (CHEBI:77406) is enantiomer of (R)-citalopram(1+) (CHEBI:77405)
IUPAC Name 
3-[(1R)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium