p-Nitrobenzyltrimethylammonium | SBID = 1609 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 4
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: 3.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C10H15N2O2+
M / g/mol: 195.24
Complexity:
Number of Conformers:

Identifiers

  • Tags: aromatic, cation, typical guest, charged
  • Name: p-Nitrobenzyltrimethylammonium
  • Preferred Abbreviation: p-Nitrobenzyltrimethylammonium
  • IUPAC Name:
  • CAS:
  • CID: -638
  • InChiKey: JSDLOLMVNKROEB-UHFFFAOYSA-N
  • InChi: InChI=1S/C10H15N2O2/c1-12(2,3)8-9-4-6-10(7-5-9)11(13)14/h4-7H,8H2,1-3H3/q+1
  • CanoSmiles: C[N+](C)(C)CC1=CC=C([N+]([O-])=O)C=C1
  • IsoSmiles: C[N+](C)(C)CC1=CC=C([N+]([O-])=O)C=C1