CHEBI:73714 - dipivefrin(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dipivefrin(1+)
ChEBI ID CHEBI:73714
Definition An ammonium ion resulting from the protonation of the amino group of dipivefrin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C19H30NO5
Net Charge +1
Average Mass 352.44520
Monoisotopic Mass 352.21185
InChI InChI=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
InChIKey OCUJLLGVOUDECM-UHFFFAOYSA-O
SMILES C[NH2+]CC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
ChEBI Ontology
Outgoing dipivefrin(1+) (CHEBI:73714) is a ammonium ion derivative (CHEBI:35274)
dipivefrin(1+) (CHEBI:73714) is conjugate acid of dipivefrin (CHEBI:4646)
Incoming 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
Last Modified
23 May 2013