N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+) (CHEBI:67049)

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CHEBI:67049 - N^α,N^α,N^α-trimethyl-L-histidinium(1+)

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ChEBI ID	CHEBI:67049
ChEBI Name	N^α,N^α,N^α-trimethyl-L-histidinium(1+)
Stars
ASCII Name	N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
Definition	A quaternary ammonium ion obtained by the protonation of the carboxy function of N^α,N^α,N^α-trimethyl-L-histidine.
Last Modified	28 July 2014
Submitter	namrata
Downloads	Molfile

Formula	C9H16N3O2
Net Charge	+1
Average Mass	198.246
Monoisotopic Mass	198.12370
SMILES	C[N+](C)(C)[C@@H](Cc1cncn1)C(=O)O
InChI	InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1
InChIKey	GPPYTCRVKHULJH-QMMMGPOBSA-O

ChEBI Ontology

Outgoing Relation(s)
	N^α,N^α,N^α-trimethyl-L-histidinium(1+) (CHEBI:67049) is a quaternary ammonium ion (CHEBI:35267)
	N^α,N^α,N^α-trimethyl-L-histidinium(1+) (CHEBI:67049) is conjugate acid of N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781)
Incoming Relation(s)
	N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) is conjugate base of N^α,N^α,N^α-trimethyl-L-histidinium(1+) (CHEBI:67049)

IUPAC Name
(1S)-1-carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium

Synonym	Source
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine	KEGG COMPOUND

Manual Xrefs	Databases
C05575	KEGG COMPOUND

Registry Numbers	Sources
CAS:534-30-5	KEGG COMPOUND