1,1'-(propane-1,3-diyl)bis(4-(tert-butyl)pyridin-1-ium) | SBID = 2425 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 7.76
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 5.31
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: C21H32N2++
M / g/mol: 312.49218
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1,1'-(propane-1,3-diyl)bis(4-(tert-butyl)pyridin-1-ium)
  • Preferred Abbreviation: 1,1'-(propane-1,3-diyl)bis(4-(tert-butyl)pyridin-1-ium)
  • IUPAC Name:
  • CAS:
  • CID: -1026
  • InChiKey: OBKUQIPOSJEQDO-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H32N2/c1-20(2,3)18-8-14-22(15-9-18)12-7-13-23-16-10-19(11-17-23)21(4,5)6/h8-11,14-17H,7,12-13H2,1-6H3/q+2
  • CanoSmiles: CC(c1cc[n+](cc1)CCC[n+]1ccc(cc1)C(C)(C)C)(C)C
  • IsoSmiles: CC(C)(C)C1=CC=[N+](CCC[N+]2=CC=C(C(C)(C)C)C=C2)C=C1