dibutyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium chloride

Systemtic Name: dibutyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-dibutyl-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: dibutyl-[3-(1-oxooctadecylamino)propyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-dibutyl-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: benzyl-dibutyl-(3-stearamidopropyl)ammonium chloride Formula: C36H67ClN2O MolecularWeight: 579.38298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66N2O.ClH/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-25-29-36(39)37-30-26-33-38(31-8-5-2,32-9-6-3)34-35-27-23-22-24-28-35;/h22-24,27-28H,4-21,25-26,29-34H2,1-3H3;1H