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CHEBI:68574 - indacaterol(1+)

ChEBI IDCHEBI:68574
ChEBI Nameindacaterol(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of indacaterol, obtained by protonation of the secondary amino group.
Last Modified13 November 2012
SubmitterSteve
DownloadsMolfile
FormulaC24H29N2O3
Net Charge+1
Average Mass393.507
Monoisotopic Mass393.21727
SMILESCCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc(O)c3nc(=O)ccc13)C2
InChIInChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/p+1/t22-/m0/s1
InChIKeyQZZUEBNBZAPZLX-QFIPXVFZSA-O
ChEBI Ontology
Outgoing Relation(s)
indacaterol(1+) (CHEBI:68574) is a ammonium ion derivative (CHEBI:35274)
indacaterol(1+) (CHEBI:68574) is a organic cation (CHEBI:25697)
indacaterol(1+) (CHEBI:68574) is conjugate acid of indacaterol (CHEBI:68575)
Incoming Relation(s)
indacaterol maleate (CHEBI:68573) has part indacaterol(1+) (CHEBI:68574)
indacaterol (CHEBI:68575) is conjugate base of indacaterol(1+) (CHEBI:68574)
IUPAC Name 
5,6-diethyl-N-[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]indan-2-aminium
Synonym  Source
indacaterol cationChEBI