3-(naphthalen-2-ylmethyl)-1-vinyl-1H-imidazol-3-ium | SBID = 2570 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 8.81
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 3.58
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: C16H15N2+
M / g/mol: 235.3037
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: 3-(naphthalen-2-ylmethyl)-1-vinyl-1H-imidazol-3-ium
  • Preferred Abbreviation: NVI
  • IUPAC Name:
  • CAS:
  • CID: -1127
  • InChiKey: AGEPLXRYDVKKAW-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H15N2/c1-2-17-9-10-18(13-17)12-14-7-8-15-5-3-4-6-16(15)11-14/h2-11,13H,1,12H2/q+1
  • CanoSmiles: C=Cn1cc[n+](c1)Cc1ccc2c(c1)cccc2
  • IsoSmiles: C=CN1C=C[N+](CC2=CC(C=CC=C3)=C3C=C2)=C1