EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125693 - 2-[4-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium 2-[5-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium

ChEBI IDCHEBI:125693
ChEBI Name2-[4-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium 2-[5-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium
Stars
Last Modified26 February 2024
DownloadsMolfile
Formula2C13H23N2O2
Net Charge+2
Average Mass478.678
Monoisotopic Mass478.35081
SMILESC[N+](C)(C)CCOc1cc(CCN)ccc1O.C[N+](C)(C)CCOc1ccc(CCN)cc1O
InChIInChI=1S/2C13H22N2O2/c1-15(2,3)8-9-17-13-5-4-11(6-7-14)10-12(13)16;1-15(2,3)8-9-17-13-10-11(6-7-14)4-5-12(13)16/h2*4-5,10H,6-9,14H2,1-3H3/p+2
InChIKeyODFNINQRCUMTGK-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
2-[4-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium 2-[5-(2-aminoethyl)-2-hydroxyphenoxy]ethyl-trimethylammonium (CHEBI:125693) is a quaternary ammonium ion (CHEBI:35267)
Manual XrefsDatabases
LSM-37262LINCS