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CHEBI:61177 - eletriptan(1+)

ChEBI IDCHEBI:61177
ChEBI Nameeletriptan(1+)
Stars
DefinitionAn ammonium ion that is obtained by protonation of the pyrrolidine nitrogen of eletriptan.
Last Modified2 February 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H27N2O2S
Net Charge+1
Average Mass383.537
Monoisotopic Mass383.17878
SMILES[H][N+]1(C)CCC[C@@H]1Cc1cnc2ccc(CCS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/p+1/t19-/m1/s1
InChIKeyPWVXXGRKLHYWKM-LJQANCHMSA-O
ChEBI Ontology
Outgoing Relation(s)
eletriptan(1+) (CHEBI:61177) is a ammonium ion derivative (CHEBI:35274)
eletriptan(1+) (CHEBI:61177) is conjugate acid of eletriptan (CHEBI:50922)
Incoming Relation(s)
eletriptan hydrobromide (CHEBI:61176) has part eletriptan(1+) (CHEBI:61177)
eletriptan (CHEBI:50922) is conjugate base of eletriptan(1+) (CHEBI:61177)
IUPAC Name 
(2R)-1-methyl-2-({5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl)pyrrolidinium