EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:104240 - 2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]-N,N-diethylethanamine

ChEBI IDCHEBI:104240
ChEBI Name2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]-N,N-diethylethanamine
Stars
DownloadsMolfile
FormulaC28H37N2O2
Net Charge+1
Average Mass433.616
Monoisotopic Mass433.28495
SMILESCCOc1ccc(-c2cc(C)[n+](CCN(CC)CC)c(-c3ccc(OCC)cc3)c2)cc1
InChIInChI=1S/C28H37N2O2/c1-6-29(7-2)18-19-30-22(5)20-25(23-10-14-26(15-11-23)31-8-3)21-28(30)24-12-16-27(17-13-24)32-9-4/h10-17,20-21H,6-9,18-19H2,1-5H3/q+1
InChIKeyTXSMRDKQYDZAOK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[2,4-bis(4-ethoxyphenyl)-6-methyl-1-pyridin-1-iumyl]-N,N-diethylethanamine (CHEBI:104240) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-15605LINCS