Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Benzyl-dimethyl-tetradecylazanium Chloride

Benzyl-dimethyl-tetradecylazanium Chloride synonyms

Benzalkonium chloride


Graphical representations:


View large 3D structure

Molecular Formula: C23H42ClN

Natural Isotopic Abundance Mass: 368.039280000001

Mono-Isotopic Molecular Masses:

  • C12N14: 367.300578029001
  • C13N14: 390.377739303001
  • C12N15: 368.297612922001
  • C13N15: 391.374774196001

InChI string: InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

PubChem Compound (CID): 8755

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,