Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Benzyl-dimethyl-tetradecylazanium Chloride

Benzyl-dimethyl-tetradecylazanium Chloride synonyms

Benzalkonium chloride


Graphical representations:

benzyl-dimethyl-tetradecylazanium chloride image

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 Substance (SID):   n/a
PubChem Compound (CID):   8755
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,