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CHEBI:50538 - N-methyl-α-berbine

ChEBI IDCHEBI:50538
ChEBI NameN-methyl-α-berbine
Stars
ASCII NameN-methyl-alpha-berbine
DefinitionA quaternary ammonium ion resulting from the methylation of the nitrogen atom of α-berbine.
Last Modified4 August 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H20N
Net Charge+1
Average Mass250.365
Monoisotopic Mass250.15903
SMILES[H][C@@]12Cc3ccccc3C[N+]1(C)CCc1ccccc12
InChIInChI=1S/C18H20N/c1-19-11-10-14-6-4-5-9-17(14)18(19)12-15-7-2-3-8-16(15)13-19/h2-9,18H,10-13H2,1H3/q+1/t18-,19?/m0/s1
InChIKeyYXEKXCPIKGSIDD-OYKVQYDMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-methyl-α-berbine (CHEBI:50538) has functional parent α-berbine (CHEBI:50400)
N-methyl-α-berbine (CHEBI:50538) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
cis-N-methyl-α-berbine (CHEBI:50537) is a N-methyl-α-berbine (CHEBI:50538)
IUPAC Name 
(13aS)-7-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolinium
Registry NumbersSources
Beilstein:6146911Beilstein