EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5707 - Hexocyclium

ChEBI IDCHEBI:5707
ChEBI NameHexocyclium
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC20H33N2O
Net Charge+1
Average Mass317.497
Monoisotopic Mass317.25874
SMILESC[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1
InChIKeyZRYHPQCHHOKSMD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hexocyclium (CHEBI:5707) is a amine (CHEBI:32952)
Synonyms  Source
HexocycliumKEGG COMPOUND
hexocyclium methylsulfateDrugCentral
hexocyclium metilsulfateDrugCentral
hexocyclium methyl sulfateDrugCentral
Manual XrefsDatabases
C07811KEGG COMPOUND
1371DrugCentral
Registry NumbersSources
CAS:6004-98-4KEGG COMPOUND