CHEBI:61177 - eletriptan(1+)

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ChEBI Name eletriptan(1+)
ChEBI ID CHEBI:61177
Definition An ammonium ion that is obtained by protonation of the pyrrolidine nitrogen of eletriptan.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H27N2O2S
Net Charge +1
Average Mass 383.52700
Monoisotopic Mass 383.17878
InChI InChI=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
InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-O
SMILES [H][N+]1(C)CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
ChEBI Ontology
Outgoing eletriptan(1+) (CHEBI:61177) is a ammonium ion derivative (CHEBI:35274)
eletriptan(1+) (CHEBI:61177) is conjugate acid of eletriptan (CHEBI:50922)
Incoming 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
Last Modified
02 February 2011