(E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-ium) | SBID = 2422 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.68
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: C20H28N2++
M / g/mol: 296.44972
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: (E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-ium)
  • Preferred Abbreviation: (E)-4,4'-(ethene-1,2-diyl)bis(1-butylpyridin-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1023
  • InChiKey: KTCOMENVKFBYIM-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H28N2/c1-3-5-13-21-15-9-19(10-16-21)7-8-20-11-17-22(18-12-20)14-6-4-2/h7-12,15-18H,3-6,13-14H2,1-2H3/q+2
  • CanoSmiles: CCCC[n+]1ccc(cc1)/C=C/c1cc[n+](cc1)CCCC
  • IsoSmiles: CCCC[N+](C=C1)=CC=C1/C=C/C2=CC=[N+](CCCC)C=C2