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CHEBI:57902 - 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium

ChEBI IDCHEBI:57902
ChEBI Name1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Stars
DefinitionThe conjugate acid of 1-benzyl-1,2,3,4-tetrahydroisoquinoline arising from protonation of the amino group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC16H18N
Net Charge+1
Average Mass224.327
Monoisotopic Mass224.14338
SMILESc1ccc(CC2[NH2+]CCc3ccccc32)cc1
InChIInChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2/p+1
InChIKeyYRYCIFUZSUMAAY-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium (CHEBI:57902) is a ammonium ion derivative (CHEBI:35274)
1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium (CHEBI:57902) is conjugate acid of (RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline (CHEBI:16804)
Incoming Relation(s)
(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline (CHEBI:16804) is conjugate base of 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium (CHEBI:57902)
IUPAC Name 
1-benzyl-1,2,3,4-tetrahydroisoquinolinium
UniProt Name  Source
(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinolineUniProt