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CHEBI:90756 - naloxone(1+)

ChEBI IDCHEBI:90756
ChEBI Namenaloxone(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the nitrogen of naloxone.
Last Modified9 December 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H22NO4
Net Charge+1
Average Mass328.388
Monoisotopic Mass328.15433
SMILESC=CC[NH+]1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
InChIInChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/p+1/t14-,17+,18+,19-/m1/s1
InChIKeyUZHSEJADLWPNLE-GRGSLBFTSA-O
ChEBI Ontology
Outgoing Relation(s)
naloxone(1+) (CHEBI:90756) is a ammonium ion derivative (CHEBI:35274)
naloxone(1+) (CHEBI:90756) is conjugate acid of naloxone (CHEBI:7459)
Incoming Relation(s)
naloxone hydrochloride (CHEBI:31892) has part naloxone(1+) (CHEBI:90756)
naloxone (CHEBI:7459) is conjugate base of naloxone(1+) (CHEBI:90756)
IUPAC Name 
(17R)-17-allyl-3,14-dihydroxy-6-oxo-4,5α-epoxymorphinan-17-ium
Synonym  Source
(5α,17R)-17-allyl-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-17-iumIUPAC