N,N′-dimethyldipyridyliumethylene | SBID = 2146 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.31
Charge: 2.0
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: C14H16N2++
M / g/mol: 212.29024
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: N,N′-dimethyldipyridyliumethylene
  • Preferred Abbreviation: N,N′-dimethyldipyridyliumethylene
  • IUPAC Name:
  • CAS:
  • CID: -949
  • InChiKey: XRIOCMZNEKUBEW-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H16N2/c1-15-9-5-13(6-10-15)3-4-14-7-11-16(2)12-8-14/h3-12H,1-2H3/q+2
  • CanoSmiles: C[n+]1ccc(cc1)/C=C/c1cc[n+](cc1)C
  • IsoSmiles: C[N+]1=CC=C(/C=C/C2=CC=[N+](C)C=C2)C=C1