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CHEBI:95252 - dimethyl-(3-phenoxypropyl)-phenylammonium 3-hydroxy-2-naphthalenecarboxylic acid

ChEBI IDCHEBI:95252
ChEBI Namedimethyl-(3-phenoxypropyl)-phenylammonium 3-hydroxy-2-naphthalenecarboxylic acid
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FormulaC11H8O3.C17H22NO
Net Charge+1
Average Mass444.551
Monoisotopic Mass444.21693
SMILESC[N+](C)(CCCOc1ccccc1)c1ccccc1.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C17H22NO.C11H8O3/c1-18(2,16-10-5-3-6-11-16)14-9-15-19-17-12-7-4-8-13-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-8,10-13H,9,14-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;
InChIKeyKPJWDDFIHYNHBB-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-(3-phenoxypropyl)-phenylammonium 3-hydroxy-2-naphthalenecarboxylic acid (CHEBI:95252) is a naphthoic acid (CHEBI:25483)
Manual XrefsDatabases
LSM-6575LINCS