EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:231762 - mescalinium

ChEBI IDCHEBI:231762
ChEBI Namemescalinium
Stars
DefinitionA primary ammonium ion that is the conjugate acid of mescaline resulting from the protonation of the primary amino group; Major microspecies at pH 7.3.
Last Modified9 September 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H18NO3
Net Charge+1
Average Mass212.269
Monoisotopic Mass212.12812
SMILESCOc1cc(CC[NH3+])cc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3/p+1
InChIKeyRHCSKNNOAZULRK-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
mescalinium (CHEBI:231762) is a primary ammonium ion (CHEBI:65296)
mescalinium (CHEBI:231762) is conjugate acid of mescaline (CHEBI:28346)
Incoming Relation(s)
N-methylmescalinium (CHEBI:231781) has functional parent mescalinium (CHEBI:231762)
mescaline (CHEBI:28346) is conjugate base of mescalinium (CHEBI:231762)
IUPAC Name 
2-(3,4,5-trimethoxyphenyl)ethanaminium
Synonyms  Source
2-(3,4,5-trimethoxyphenyl)ethan-1-aminiumIUPAC
3,4,5-trimethoxyphenethylaminiumChEBI
UniProt Name  Source
mescalineUniProt
Citations