dimethyl-[3-(9-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-[3-(9-oxidanyloctadecanoylamino)propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethyl-ammonium chloride CAS Name: 3-[(9-hydroxy-1-oxooctadecyl)amino]propyl-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethylazanium chloride Traditional Name: benzyl-[3-(9-hydroxyoctadecanoylamino)propyl]-dimethyl-ammonium chloride Formula: C30H55ClN2O2 MolecularWeight: 511.2229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O.[Cl-]

InChI

InChI=1S/C30H54N2O2.ClH/c1-4-5-6-7-8-10-16-22-29(33)23-17-11-9-12-18-24-30(34)31-25-19-26-32(2,3)27-28-20-14-13-15-21-28;/h13-15,20-21,29,33H,4-12,16-19,22-27H2,1-3H3;1H