dodecyl-dioctadecyl-(phenylmethyl)azanium chloride

Systemtic Name: dodecyl-dioctadecyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-dodecyl-dioctadecyl-ammonium chloride CAS Name: dodecyl-dioctadecyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dodecyl-dioctadecylazanium chloride Traditional Name: benzyl-lauryl-distearyl-ammonium chloride Formula: C55H106ClN MolecularWeight: 816.88984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C55H106N.ClH/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-47-52-56(54-55-49-44-43-45-50-55,51-46-40-37-34-21-18-15-12-9-6-3)53-48-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2;/h43-45,49-50H,4-42,46-48,51-54H2,1-3H3;1H/q+1;/p-1