EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192993 - 4-methoxytyraminium

ChEBI IDCHEBI:192993
ChEBI Name4-methoxytyraminium
Stars
DefinitionA primary ammonium ion that is the conjugate acid of 4-methoxytyramine resulting from the protonation of the primary amino group; major microspecies at pH 7.3.
Last Modified2 August 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H14NO2
Net Charge+1
Average Mass168.216
Monoisotopic Mass168.10191
SMILESCOc1ccc(CC[NH3+])cc1O
InChIInChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3/p+1
InChIKeyWJXQFVMTIGJBFX-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
4-methoxytyraminium (CHEBI:192993) is a primary ammonium ion (CHEBI:65296)
4-methoxytyraminium (CHEBI:192993) is conjugate acid of 4-methoxytyramine (CHEBI:89641)
Incoming Relation(s)
4-methoxytyramine (CHEBI:89641) is conjugate base of 4-methoxytyraminium (CHEBI:192993)
IUPAC Name 
2-(3-hydroxy-4-methoxyphenyl)ethanaminium
Synonyms  Source
4-methoxytyramine(1+)ChEBI
4-O-methyldopaminiumSUBMITTER
2-(3-hydroxy-4-methoxyphenyl)ethan-1-aminiumIUPAC
4-methoxytyramine cationChEBI
UniProt Name  Source
4-methoxytyramineUniProt
Manual XrefsDatabases
CPD-7665MetaCyc