D4D2+ | SBID = 2487 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 6.48
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 0.22
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: C16H32N4++
M / g/mol: 280.45208
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: D4D2+
  • Preferred Abbreviation: 1,1'-(butane-1,4-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1079
  • InChiKey: BNHPKDXZBXPOAL-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H32N4/c1(9-19-11-3-17(4-12-19)5-13-19)2-10-20-14-6-18(7-15-20)8-16-20/h1-16H2/q+2
  • CanoSmiles: C(C[N+]12CCN(CC1)CC2)CC[N+]12CCN(CC1)CC2
  • IsoSmiles: N12CC[N+](CC2)(CCCC[N+]34CCN(CC4)CC3)CC1