1,1'-(3-carboxypentane-1,5-diyl)dipyridinium dichloride | SBID = 1883 | 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: 2.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H20N2O2++
M / g/mol: 272.3422
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: 1,1'-(3-carboxypentane-1,5-diyl)dipyridinium dichloride
  • Preferred Abbreviation: 1,1'-(3-carboxypentane-1,5-diyl)dipyridinium
  • IUPAC Name: 1,1'-(3-carboxypentane-1,5-diyl)dipyridinium dichloride
  • CAS:
  • CID: -795
  • InChiKey: YEZZDLFAXMZPML-UHFFFAOYSA-O
  • InChi: InChI=1S/C16H19N2O2/c19-16(20)15(7-13-17-9-3-1-4-10-17)8-14-18-11-5-2-6-12-18/h1-6,9-12,15H,7-8,13-14H2/q+1/p+1
  • CanoSmiles: OC(=O)C(CC[n+]1ccccc1)CC[n+]1ccccc1
  • IsoSmiles: OC(C(CC[N+]1=CC=CC=C1)CC[N+]2=CC=CC=C2)=O