N,N’-Dimethyl-1,2-bis-(4-pyridinium)- ethylene | SBID = 396 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 13
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 2.0
Number of H-Bond Donors:
Number of H-Bond Acceptors:
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H16N2++
M / g/mol: 212.13
Complexity:
Number of Conformers:

Identifiers

  • Tags: cation, typical guest, charged
  • Name: N,N’-Dimethyl-1,2-bis-(4-pyridinium)- ethylene
  • Preferred Abbreviation: MVE
  • IUPAC Name: (E)-4,4'-(ethene-1,2-diyl)bis(1-methylpyridin-1-ium)
  • CAS:
  • CID: -76
  • InChiKey: XRIOCMZNEKUBEW-ONEGZZNKSA-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/b4-3+
  • CanoSmiles: C[N+](C=C1)=CC=C1/C=C/C2=CC=[N+](C)C=C2
  • IsoSmiles: C[N+]1=CC=C(/C=C/C2=CC=[N+](C)C=C2)C=C1