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CHEBI:73714 - dipivefrin(1+)

Default Structure
ChEBI IDCHEBI:73714
ChEBI Namedipivefrin(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the amino group of dipivefrin.
Last Modified23 May 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H30NO5
Net Charge+1
Average Mass352.451
Monoisotopic Mass352.21185
SMILESC[NH2+]CC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
InChIInChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3/p+1
InChIKeyOCUJLLGVOUDECM-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
dipivefrin(1+) (CHEBI:73714) is a ammonium ion derivative (CHEBI:35274)
dipivefrin(1+) (CHEBI:73714) is conjugate acid of dipivefrin (CHEBI:4646)
Incoming Relation(s)
dipivefrin hydrochloride (CHEBI:4647) has part dipivefrin(1+) (CHEBI:73714)
dipivefrin (CHEBI:4646) is conjugate base of dipivefrin(1+) (CHEBI:73714)
IUPAC Name 
2-{3,4-bis[(2,2-dimethylpropanoyl)oxy]phenyl}-2-hydroxy-N-methylethanaminium