3-benzyl-1-vinyl-1H-imidazol-3-ium | SBID = 2063 | 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: 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: C12H13N2+
M / g/mol: 185.24502
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, charged
  • Name: 3-benzyl-1-vinyl-1H-imidazol-3-ium
  • Preferred Abbreviation: BVI
  • IUPAC Name:
  • CAS:
  • CID: -890
  • InChiKey: UKNPVQUVWVIYIO-UHFFFAOYSA-N
  • InChi: InChI=1S/C12H13N2/c1-2-13-8-9-14(11-13)10-12-6-4-3-5-7-12/h2-9,11H,1,10H2/q+1
  • CanoSmiles: C=Cn1cc[n+](c1)Cc1ccccc1
  • IsoSmiles: C=CN(C=C1)C=[N+]1CC2=CC=CC=C2