diethyl-[3-(12-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium chloride

Systemtic Name: diethyl-[3-(12-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-diethyl-[3-(12-hydroxyoctadecanoylamino)propyl]ammonium chloride CAS Name: diethyl-[3-[(12-hydroxy-1-oxooctadecyl)amino]propyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-diethyl-[3-(12-hydroxyoctadecanoylamino)propyl]azanium chloride Traditional Name: benzyl-diethyl-[3-(12-hydroxyoctadecanoylamino)propyl]ammonium chloride Formula: C32H59ClN2O2 MolecularWeight: 539.27606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1)O.[Cl-]

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)NCCC[N+](CC)(CC)CC1=CC=CC=C1)O.[Cl-]

InChI

InChI=1S/C32H58N2O2.ClH/c1-4-7-8-18-24-31(35)25-19-13-11-9-10-12-14-20-26-32(36)33-27-21-28-34(5-2,6-3)29-30-22-16-15-17-23-30;/h15-17,22-23,31,35H,4-14,18-21,24-29H2,1-3H3;1H