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

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ChEBI Name dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid
ChEBI ID CHEBI:94635
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H30NO4
Net Charge +1
Average Mass 444.543
Monoisotopic Mass 444.21693
InChI InChI=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;
InChIKey PMPQCPQAHTXCDK-UHFFFAOYSA-N
SMILES C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CC=C2.C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing dimethyl-(2-phenoxyethyl)-(phenylmethyl)ammonium 3-hydroxy-2-naphthalenecarboxylic acid (CHEBI:94635) is a naphthoic acid (CHEBI:25483)
Manual Xref Database
LSM-5589 LINCS
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