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CHEBI:3350 - candicine

ChEBI IDCHEBI:3350
ChEBI Namecandicine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H18NO
Net Charge+1
Average Mass180.271
Monoisotopic Mass180.13829
SMILESC[N+](C)(C)CCc1ccc(O)cc1
InChIInChI=1S/C11H17NO/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,8-9H2,1-3H3/p+1
InChIKeyPTOJXIKSKSASRB-UHFFFAOYSA-O
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
candicine (CHEBI:3350) is a primary amine (CHEBI:32877)
IUPAC Name 
2-(4-hydroxyphenyl)-N,N,N-trimethylethanaminium
Synonyms  Source
CandicineKEGG COMPOUND
Ammonium, (p-hydroxyphenethyl)trimethyl-KEGG COMPOUND
CandicinChemIDplus
Manual XrefsDatabases
C10575KEGG COMPOUND
C00002319KNApSAcK
Registry NumbersSources
Beilstein:4133224Beilstein
CAS:6656-13-9KEGG COMPOUND
CAS:6656-13-9ChemIDplus