CHEBI:59950 - neopinone(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name neopinone(1+)
ChEBI ID CHEBI:59950
Definition The trialkylammonium ion resulting from the protonation of the amino group of neopinone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H20NO3
Net Charge +1
Average Mass 298.35630
Monoisotopic Mass 298.14377
InChI InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3/p+1/t12-,17+,18+/m1/s1
InChIKey LJVKMVSYTWPNGA-UUWFMWQGSA-O
SMILES COc1ccc2C[C@H]3[NH+](C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC=C35
ChEBI Ontology
Outgoing neopinone(1+) (CHEBI:59950) is a ammonium ion derivative (CHEBI:35274)
neopinone(1+) (CHEBI:59950) is conjugate acid of neopinone (CHEBI:7510)
Incoming neopinone (CHEBI:7510) is conjugate base of neopinone(1+) (CHEBI:59950)
IUPAC Name
3-methoxy-17-methyl-6-oxo-8,14-didehydro-4,5α-epoxymorphinan-17-ium
Synonym Source
neopinone UniProt
Citation Waiting for Citations Type Source
20228795 PubMed citation Europe PMC
Last Modified
09 August 2010