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CHEBI:57755 - (R)-N-methylcoclaurinium

ChEBI IDCHEBI:57755
ChEBI Name(R)-N-methylcoclaurinium
Stars
ASCII Name(R)-N-methylcoclaurinium
DefinitionThe conjugate acid of (R)-N-methylcoclaurine arising from protonation of the tertiary amino group; major species at pH 7.3.
Last Modified24 April 2014
DownloadsMolfile
FormulaC18H22NO3
Net Charge+1
Average Mass300.378
Monoisotopic Mass300.15942
SMILESCOc1cc2c(cc1O)[C@@H](Cc1ccc(O)cc1)[NH+](C)CC2
InChIInChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/p+1/t16-/m1/s1
InChIKeyBOKVLBSSPUTWLV-MRXNPFEDSA-O
ChEBI Ontology
Outgoing Relation(s)
(R)-N-methylcoclaurinium (CHEBI:57755) is a N-methylcoclaurine (CHEBI:38818)
(R)-N-methylcoclaurinium (CHEBI:57755) is conjugate acid of (R)-N-methylcoclaurine (CHEBI:16387)
Incoming Relation(s)
(R)-N-methylcoclaurine (CHEBI:16387) is conjugate base of (R)-N-methylcoclaurinium (CHEBI:57755)
IUPAC Name 
(1R)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium
Synonyms  Source
(R)-N-methylcoclaurinium cationChEBI
(R)-N-methylcoclaurinium(1+)ChEBI
UniProt Name  Source
(R)-N-methylcoclaurineUniProt