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CHEBI:52146 - clemizole(1+)

ChEBI IDCHEBI:52146
ChEBI Nameclemizole(1+)
Stars
Last Modified7 April 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H21ClN3
Net Charge+1
Average Mass326.851
Monoisotopic Mass326.14185
SMILESClc1ccc(Cn2c(C[NH+]3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2/p+1
InChIKeyCJXAEXPPLWQRFR-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
clemizole(1+) (CHEBI:52146) is a tertiary ammonium ion (CHEBI:137982)
clemizole(1+) (CHEBI:52146) is conjugate acid of clemizole (CHEBI:52140)
Incoming Relation(s)
clemizole(1+) salt (CHEBI:52147) has part clemizole(1+) (CHEBI:52146)
clemizole (CHEBI:52140) is conjugate base of clemizole(1+) (CHEBI:52146)
IUPAC Name 
1-{[1-(4-chlorobenzyl)-1H-benzimidazol-2-yl]methyl}pyrrolidinium