1,1'-(oxybis(ethane-2,1-diyl))bispyridinium bromide | SBID = 1416 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C14H18Br2N2O
M / g/mol: 390.11352
Complexity:
Number of Conformers:

Identifiers

  • Tags: uncharged, typical guest
  • Name: 1,1'-(oxybis(ethane-2,1-diyl))bispyridinium bromide
  • Preferred Abbreviation: 1,1'-(oxybis(ethane-2,1-diyl))bispyridinium bromide
  • IUPAC Name:
  • CAS:
  • CID: -525
  • InChiKey: RBLGBUMPFGNNFY-UHFFFAOYSA-L
  • InChi: InChI=1S/C14H18N2O.2BrH/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;;/h1-10H,11-14H2;2*1H/q+2;;/p-2
  • CanoSmiles: O(CC[n+]1ccccc1)CC[n+]1ccccc1.[Br-].[Br-]
  • IsoSmiles: [N+]1(CCOCC[N+]2=CC=CC=C2)=CC=CC=C1.[Br-].[Br-]