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CHEBI:63650 - propafenone(1+)

ChEBI IDCHEBI:63650
ChEBI Namepropafenone(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of propafenone.
Last Modified19 January 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H28NO3
Net Charge+1
Average Mass342.459
Monoisotopic Mass342.20637
SMILESCCC[NH2+]CC(O)COc1ccccc1C(=O)CCc1ccccc1
InChIInChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3/p+1
InChIKeyJWHAUXFOSRPERK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
propafenone(1+) (CHEBI:63650) is a ammonium ion derivative (CHEBI:35274)
propafenone(1+) (CHEBI:63650) is conjugate acid of propafenone (CHEBI:63619)
Incoming Relation(s)
propafenone hydrochloride (CHEBI:8466) has part propafenone(1+) (CHEBI:63650)
propafenone (CHEBI:63619) is conjugate base of propafenone(1+) (CHEBI:63650)
IUPAC Name 
2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]-N-propylpropan-1-aminium