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CHEBI:62101 - acebutolol(1+)

ChEBI IDCHEBI:62101
ChEBI Nameacebutolol(1+)
Stars
DefinitionAn ammonium ion that results from the protonation of the amine nitrogen of acebutolol.
Last Modified27 June 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H29N2O4
Net Charge+1
Average Mass337.440
Monoisotopic Mass337.21218
SMILESCCCC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)C)c(C(C)=O)c1
InChIInChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)/p+1
InChIKeyGOEMGAFJFRBGGG-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
acebutolol(1+) (CHEBI:62101) is a ammonium ion derivative (CHEBI:35274)
acebutolol(1+) (CHEBI:62101) is conjugate acid of acebutolol (CHEBI:2379)
Incoming Relation(s)
acebutolol hydrochloride (CHEBI:2380) has part acebutolol(1+) (CHEBI:62101)
acebutolol (CHEBI:2379) is conjugate base of acebutolol(1+) (CHEBI:62101)
IUPAC Name 
3-[2-acetyl-4-(butanoylamino)phenoxy]-2-hydroxy-N-(propan-2-yl)propan-1-aminium