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CHEBI:177380 - naxagolide(1+)

ChEBI IDCHEBI:177380
ChEBI Namenaxagolide(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of naxagolide arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3.
Last Modified13 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC15H22NO2
Net Charge+1
Average Mass248.346
Monoisotopic Mass248.16451
SMILES[H][C@@]12CCc3ccc(O)cc3[C@@]1([H])OCC[NH+]2CCC
InChIInChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/p+1/t14-,15-/m1/s1
InChIKeyJCSREICEMHWFAY-HUUCEWRRSA-O
ChEBI Ontology
Outgoing Relation(s)
naxagolide(1+) (CHEBI:177380) is a tertiary ammonium ion (CHEBI:137982)
naxagolide(1+) (CHEBI:177380) is conjugate acid of naxagolide (CHEBI:177372)
Incoming Relation(s)
naxagolide hydrochloride (CHEBI:177381) has part naxagolide(1+) (CHEBI:177380)
naxagolide (CHEBI:177372) is conjugate base of naxagolide(1+) (CHEBI:177380)
IUPAC Name 
(4aR,10bR)-9-hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium
Synonym  Source
naxagolide cationChEBI