CHEBI:57598 - 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
ChEBI ID CHEBI:57598
Definition Conjugate acid of 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline arising from protonation of the tertiary amino group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H20N
Net Charge +1
Average Mass 238.34740
Monoisotopic Mass 238.15903
InChI InChI=1S/C17H19N/c1-18-12-11-15-9-5-6-10-16(15)17(18)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3/p+1
InChIKey VKRKVLLLTIHDEF-UHFFFAOYSA-O
SMILES C[NH+]1CCc2ccccc2C1Cc1ccccc1
ChEBI Ontology
Outgoing 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium (CHEBI:57598) is a ammonium ion derivative (CHEBI:35274)
1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium (CHEBI:57598) is conjugate acid of 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline (CHEBI:15979)
Incoming 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline (CHEBI:15979) is conjugate base of 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium (CHEBI:57598)
IUPAC Name
1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
Synonym Source
N-methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline UniProt
Last Modified
13 November 2017