D7D2+ | SBID = 2490 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 6.48
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.47
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: C19H38N4++
M / g/mol: 322.53182
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: D7D2+
  • Preferred Abbreviation: 1,1'-(heptane-1,7-diyl)bis(1,4-diazabicyclo[2.2.2]octan-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1082
  • InChiKey: OCAMOZRUFKPMGK-UHFFFAOYSA-N
  • InChi: InChI=1S/C19H38N4/c1(2-4-12-22-14-6-20(7-15-22)8-16-22)3-5-13-23-17-9-21(10-18-23)11-19-23/h1-19H2/q+2
  • CanoSmiles: C(CCC[N+]12CCN(CC1)CC2)CCC[N+]12CCN(CC1)CC2
  • IsoSmiles: N12CC[N+](CC2)(CCCCCCC[N+]34CCN(CC4)CC3)CC1