diethyl-octadecyl-(phenylmethyl)azanium chloride

Systemtic Name: diethyl-octadecyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-diethyl-octadecyl-ammonium chloride CAS Name: diethyl-octadecyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-diethyl-octadecylazanium chloride Traditional Name: benzyl-diethyl-stearyl-ammonium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-30(5-2,6-3)28-29-25-22-21-23-26-29;/h21-23,25-26H,4-20,24,27-28H2,1-3H3;1H/q+1;/p-1