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CHEBI:231781 - N-methylmescalinium

ChEBI IDCHEBI:231781
ChEBI NameN-methylmescalinium
Stars
ASCII NameN-methylmescalinium
DefinitionA secondary ammonium ion that is the conjugate acid of N-methylmescaline resulting from the protonation of the secondary amino group; Major microspecies at pH 7.3.
Last Modified9 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H20NO3
Net Charge+1
Average Mass226.296
Monoisotopic Mass226.14377
SMILESC[NH2+]CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3/p+1
InChIKeyOTXANOLOOUNVSR-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
N-methylmescalinium (CHEBI:231781) has functional parent mescalinium (CHEBI:231762)
N-methylmescalinium (CHEBI:231781) is a secondary ammonium ion (CHEBI:137419)
N-methylmescalinium (CHEBI:231781) is conjugate acid of N-methylmescaline (CHEBI:7319)
Incoming Relation(s)
N-methylmescaline (CHEBI:7319) is conjugate base of N-methylmescalinium (CHEBI:231781)
IUPAC Name 
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanaminium
Synonym  Source
N-methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-aminiumIUPAC
UniProt Name  Source
N-methylmescalineUniProt
Citations