N-methyl pyridinium | SBID = 1368 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C6H8N+
M / g/mol: 94.13442
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: N-methyl pyridinium
  • Preferred Abbreviation: N-methyl pyridinium
  • IUPAC Name:
  • CAS:
  • CID: -494
  • InChiKey: PQBAWAQIRZIWIV-UHFFFAOYSA-N
  • InChi: InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
  • CanoSmiles: C[n+]1ccccc1
  • IsoSmiles: C[N+]1=CC=CC=C1