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CHEBI:174538 - Hesperaline

ChEBI IDCHEBI:174538
ChEBI NameHesperaline
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FormulaC14H22NO4
Net Charge+1
Average Mass268.333
Monoisotopic Mass268.15433
SMILESCOc1ccc(C(=O)OCC[N+](C)(C)C)cc1OC
InChIInChI=1S/C14H22NO4/c1-15(2,3)8-9-19-14(16)11-6-7-12(17-4)13(10-11)18-5/h6-7,10H,8-9H2,1-5H3/q+1
InChIKeyIXSHJXHXZYUCPK-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)
Hesperaline (CHEBI:174538) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
2-(3,4-dimethoxybenzoyl)oxyethyl-trimethylazanium
Manual XrefsDatabases
HMDB0029560HMDB
30776782ChemSpider