1-benzylpyridin-1-ium | SBID = 2648 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 3.88
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -3.59
Charge: 1.0
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: C12H12N+
M / g/mol: 170.23038
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 1-benzylpyridin-1-ium
  • Preferred Abbreviation: 1-benzylpyridin-1-ium
  • IUPAC Name:
  • CAS:
  • CID: -1186
  • InChiKey: NDZFNTHGIIQMQI-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H12N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2/q+1
  • CanoSmiles: c1ccc(cc1)C[n+]1ccccc1
  • IsoSmiles: [N+]1(CC2=CC=CC=C2)=CC=CC=C1