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

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ChEBI Name	1-{4-[(2-hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium

ChEBI ID	CHEBI:67216

Definition	Benzamide substituted on nitrogen by a 2-hydroxyethyl group and at the 4-position by an (N-methylpiperidinio)methyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:43555

Supplier Information

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Formula

C16H25N2O2

Net Charge

Average Mass

277.38190

Monoisotopic Mass

277.19105

InChI

InChI=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

InChIKey

ICCNPEHLFRGOTO-UHFFFAOYSA-O

SMILES

C[N+]1(CCCCC1)Cc1ccc(cc1)C(=O)NCCO

Roles Classification
Biological Role(s):	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	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	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	Sources
1-(4-{[(2-hydroxyethyl)amino]carbonyl}benzyl)-1-methylpiperidinium	ChEBI
N-((4'-((hydroxyethyl)carbamido)phenyl)methyl)-N-methylpiperidinium	ChEBI
N-(2-hydroxyethyl)-4-[(N-methylpiperidinio)methyl]benzamide	ChEBI

Citation	Type	Source
14988504	PubMed citation	Europe PMC

Last Modified

29 August 2012