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Record Information
HMDB Statusexpected
Creation Date2024-02-21 00:16:40 UTC
Update Date2025-03-21 18:34:43 UTC
HMDB IDHMDB0001009
Metabolite Identification
DeepMet IDDMID00102174
NameN-Methylnicotinium
Frequency26.7
Structure
Chemical FormulaC11H17N2+
Molecular Mass177.1386
SMILESCN1CCCC1c1ccc[n+](C)c1
InChI KeyHIOROZIUERMMRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkaloids and derivatives
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • n-methylpyridinium compounds
  • organic cations
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • n-methylpyridinium
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • aralkylamine
  • alkaloid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • pyrrolidine
  • amine
  • tertiary amine