N-Phenyl-2-naphthylammonium cation | SBID = 991 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C16H14N+
M / g/mol: 220.28906
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: N-Phenyl-2-naphthylammonium cation
  • Preferred Abbreviation: N-Phenyl-2-naphthylammonium cation
  • IUPAC Name:
  • CAS:
  • CID: -321
  • InChiKey: KEQFTVQCIQJIQW-UHFFFAOYSA-O
  • InChi: InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H/p+1
  • CanoSmiles: c1ccc(cc1)[NH2+]c1ccc2c(c1)cccc2
  • IsoSmiles: C1([NH2+]C2=CC=CC=C2)=CC=C3C=CC=CC3=C1