1-methyl-4-phenylpyridin-1-ium | SBID = 2420 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -3.14
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: C12H12N+
M / g/mol: 170.23038
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-methyl-4-phenylpyridin-1-ium
  • Preferred Abbreviation: Methyl phenyl pyridinium
  • IUPAC Name:
  • CAS:
  • CID: -1021
  • InChiKey: FMGYKKMPNATWHP-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
  • CanoSmiles: C[n+]1ccc(cc1)c1ccccc1
  • IsoSmiles: C[N+](C=C1)=CC=C1C2=CC=CC=C2