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CHEBI:86969 - loperamide(1+)

ChEBI IDCHEBI:86969
ChEBI Nameloperamide(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino function of loperamide.
Last Modified20 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC29H34ClN2O2
Net Charge+1
Average Mass478.056
Monoisotopic Mass477.23033
SMILESCN(C)C(=O)C(CC[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3/p+1
InChIKeyRDOIQAHITMMDAJ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
loperamide(1+) (CHEBI:86969) is a ammonium ion derivative (CHEBI:35274)
loperamide(1+) (CHEBI:86969) is a organic cation (CHEBI:25697)
loperamide(1+) (CHEBI:86969) is conjugate acid of loperamide (CHEBI:6532)
Incoming Relation(s)
loperamide hydrochloride (CHEBI:6533) has part loperamide(1+) (CHEBI:86969)
loperamide (CHEBI:6532) is conjugate base of loperamide(1+) (CHEBI:86969)
IUPAC Name 
4-(4-chlorophenyl)-1-[4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-4-hydroxypiperidin-1-ium
Synonym  Source
loperamide cationChEBI