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CHEBI:42893 - 1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium

ChEBI IDCHEBI:42893
ChEBI Name1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium
Stars
DefinitionA dicarboxylic acid monoamide of glutaric acid containing benzene and piperidinium moieties; a transition state analogue hapten used to elicit catalytic antibodies 5C8 and 14B9.
Last Modified24 January 2017
DownloadsMolfile
FormulaC19H29N2O3
Net Charge+1
Average Mass333.452
Monoisotopic Mass333.21727
SMILESC[N+]1(CCc2ccc(NC(=O)CCCC(=O)O)cc2)CCCCC1
InChIInChI=1S/C19H28N2O3/c1-21(13-3-2-4-14-21)15-12-16-8-10-17(11-9-16)20-18(22)6-5-7-19(23)24/h8-11H,2-7,12-15H2,1H3,(H-,20,22,23,24)/p+1
InChIKeyOKJUVEGXNINONS-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium (CHEBI:42893) has functional parent glutaric acid (CHEBI:17859)
1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium (CHEBI:42893) is a dicarboxylic acid monoamide (CHEBI:35735)
1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium (CHEBI:42893) is a piperidinium ion (CHEBI:48633)
IUPAC Name 
1-(2-{4-[(4-carboxybutanoyl)amino]phenyl}ethyl)-1-methylpiperidinium
Synonyms  Source
N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM IONPDBeChem
N-methyl-N-[(p-glutaramidophenylethyl)]piperidinium ionChEBI
Manual XrefsDatabases
GEPPDBeChem
25C8PDB
Citations