Bis Paraquat | SBID = 1917 | 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: 4.0
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: C27H32N4++++
M / g/mol: 412.56978
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, charged
  • Name: Bis Paraquat
  • Preferred Abbreviation: Bis Paraquat
  • IUPAC Name:
  • CAS:
  • CID: -826
  • InChiKey: OSNFKUVBJZDJIP-UHFFFAOYSA-N
  • InChi: InChI=1S/C27H32N4/c1-28-16-6-24(7-17-28)26-10-20-30(21-11-26)14-4-3-5-15-31-22-12-27(13-23-31)25-8-18-29(2)19-9-25/h6-13,16-23H,3-5,14-15H2,1-2H3/q+4
  • CanoSmiles: C[n+]1ccc(cc1)c1cc[n+](cc1)CCCCC[n+]1ccc(cc1)c1cc[n+](cc1)C
  • IsoSmiles: C[N+](C=C1)=CC=C1C2=CC=[N+](CCCCC[N+]3=CC=C(C4=CC=[N+](C)C=C4)C=C3)C=C2