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CHEBI:76102 - laudanine(1+)

ChEBI IDCHEBI:76102
ChEBI Namelaudanine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of laudanine, obtained by protonation of the tertiary amino group.
Last Modified28 October 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H26NO4
Net Charge+1
Average Mass344.431
Monoisotopic Mass344.18563
SMILESCOc1ccc(CC2c3cc(OC)c(OC)cc3CC[NH+]2C)cc1O
InChIInChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3/p+1
InChIKeyMPYHGNAJOKCMAQ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
laudanine(1+) (CHEBI:76102) is a ammonium ion derivative (CHEBI:35274)
laudanine(1+) (CHEBI:76102) is a organic cation (CHEBI:25697)
laudanine(1+) (CHEBI:76102) is conjugate acid of laudanine (CHEBI:76103)
Incoming Relation(s)
(R)-laudanine(1+) (CHEBI:76001) is a laudanine(1+) (CHEBI:76102)
(S)-laudanine(1+) (CHEBI:75999) is a laudanine(1+) (CHEBI:76102)
laudanine (CHEBI:76103) is conjugate base of laudanine(1+) (CHEBI:76102)
Synonym  Source
1-(3-hydroxy-4-methoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoliniumChEBI