EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:94635 - dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid

ChEBI IDCHEBI:94635
ChEBI Namedimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid
Stars
DownloadsMolfile
FormulaC11H8O3.C17H22NO
Net Charge+1
Average Mass444.551
Monoisotopic Mass444.21693
SMILESC[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;
InChIKeyPMPQCPQAHTXCDK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid (CHEBI:94635) is a naphthoic acid (CHEBI:25483)
Manual XrefsDatabases
LSM-5589LINCS