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CHEBI:64071 - SB 224289(1+)

ChEBI IDCHEBI:64071
ChEBI NameSB 224289(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of SB 224289, arising from protonation of the tertiary amino function.
Last Modified1 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC32H33N4O3
Net Charge+1
Average Mass521.641
Monoisotopic Mass521.25472
SMILESCc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CC[NH+](C)CC4)CO6)cc3)c(C)c2)no1
InChIInChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3/p+1
InChIKeyATQMRMGXINTJHV-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
SB 224289(1+) (CHEBI:64071) is a ammonium ion derivative (CHEBI:35274)
SB 224289(1+) (CHEBI:64071) is a organic cation (CHEBI:25697)
SB 224289(1+) (CHEBI:64071) is conjugate acid of SB 224289 (CHEBI:64069)
Incoming Relation(s)
SB 224289 hydrochloride (CHEBI:64067) has part SB 224289(1+) (CHEBI:64071)
SB 224289 (CHEBI:64069) is conjugate base of SB 224289(1+) (CHEBI:64071)
IUPAC Name 
1'-methyl-5-{[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl}-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidinium]
Synonym  Source
SB 224289 cationChEBI