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CHEBI:135683 - pentacynium chloride

ChEBI IDCHEBI:135683
ChEBI Namepentacynium chloride
Stars
Last Modified26 February 2024
DownloadsMolfile
FormulaC27H39N3O
Net Charge+2
Average Mass421.629
Monoisotopic Mass421.30822
SMILESC[N+](C)(CCCCC(C#N)(c1ccccc1)c1ccccc1)CC[N+]1(C)CCOCC1
InChIInChI=1S/C27H39N3O/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15H,10-11,16-23H2,1-3H3/q+2
InChIKeyGKPFBMQXTRZTOW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
pentacynium chloride (CHEBI:135683) is a quaternary ammonium ion (CHEBI:35267)
Synonym  Source
presidalDrugCentral
Manual XrefsDatabases
3806DrugCentral
Registry NumbersSources
CAS:77-12-3DrugCentral