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CHEBI:67216 - 1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium

Default Structure
ChEBI IDCHEBI:67216
ChEBI Name1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium
Stars
DefinitionBenzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by an (N-methylpiperidinio)methyl group.
Secondary ChEBI IDCHEBI:43555
Last Modified29 August 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H25N2O2
Net Charge+1
Average Mass277.388
Monoisotopic Mass277.19105
SMILESC[N+]1(Cc2ccc(C(=O)NCCO)cc2)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-18(10-3-2-4-11-18)13-14-5-7-15(8-6-14)16(20)17-9-12-19/h5-8,19H,2-4,9-13H2,1H3/p+1
InChIKeyICCNPEHLFRGOTO-UHFFFAOYSA-O
Roles Classification
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67216) has role hapten (CHEBI:59174)
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67216) is a benzamides (CHEBI:22702)
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67216) is a monocarboxylic acid amide (CHEBI:29347)
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67216) is a piperidinium ion (CHEBI:48633)
Incoming Relation(s)
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium chloride (CHEBI:67217) has part 1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium (CHEBI:67216)
IUPAC Name 
1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium
Synonyms  Source
1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidiniumChEBI
N-(2-hydroxyethyl)-4-[(N-methylpiperidinio)methyl]benzamideChEBI
N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-N-methylpiperidiniumChEBI
Manual XrefsDatabases
1UWGPDB
KHAPDBeChem
Citations