CHEBI:76102 - laudanine(1+)

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ChEBI Name laudanine(1+)
ChEBI ID CHEBI:76102
Definition An organic cation that is the conjugate acid of laudanine, obtained by protonation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H26NO4
Net Charge +1
Average Mass 344.42470
Monoisotopic Mass 344.18563
InChI InChI=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
InChIKey MPYHGNAJOKCMAQ-UHFFFAOYSA-O
SMILES COc1ccc(CC2[NH+](C)CCc3cc(OC)c(OC)cc23)cc1O
ChEBI Ontology
Outgoing 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 (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-tetrahydroisoquinolinium ChEBI
Last Modified
28 October 2013