CHEBI:5707 - Hexocyclium

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ChEBI Name Hexocyclium
ChEBI ID CHEBI:5707
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H33N2O.HO4S
Net Charge +1
Average Mass 317.490
Monoisotopic Mass 317.25874
InChI InChI=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
InChIKey ZRYHPQCHHOKSMD-UHFFFAOYSA-N
SMILES C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Hexocyclium (CHEBI:5707) is a amine (CHEBI:32952)
Synonyms Sources
Hexocyclium KEGG COMPOUND
hexocyclium methyl sulfate DrugCentral
hexocyclium methylsulfate DrugCentral
hexocyclium metilsulfate DrugCentral
Manual Xrefs Databases
1371 DrugCentral
C07811 KEGG COMPOUND
View more database links
Registry Number Type Source
6004-98-4 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017