N-Methylquinolinium iodide | SBID = 1891 | 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: 1.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C10H10IN
M / g/mol: 271.09757
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, typical guest
  • Name: N-Methylquinolinium iodide
  • Preferred Abbreviation: N-Methylquinolinium iodide
  • IUPAC Name:
  • CAS: 3947-76-0
  • CID: -803
  • InChiKey: PNYRDWUKTXFTPN-UHFFFAOYSA-M
  • InChi: InChI=1S/C10H10N.HI/c1-11-8-4-6-9-5-2-3-7-10(9)11;/h2-8H,1H3;1H/q+1;/p-1
  • CanoSmiles: C[N+]1=CC=CC2=CC=CC=C21.[I-]
  • IsoSmiles: C[N+]1=CC=CC2=CC=CC=C21.[I-]