3-(octadecanoylamino)propyl-(4-oxidanyl-1-phenyl-butan-2-yl)azanium chloride

Systemtic Name: 3-(octadecanoylamino)propyl-(4-oxidanyl-1-phenyl-butan-2-yl)azanium chloride Openeye Name: (1-benzyl-3-hydroxy-propyl)-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: (4-hydroxy-1-phenylbutan-2-yl)-[3-(1-oxooctadecylamino)propyl]ammonium chloride IUPAC Name: (4-hydroxy-1-phenylbutan-2-yl)-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: (1-benzyl-3-hydroxy-propyl)-(3-stearamidopropyl)ammonium chloride Formula: C31H57ClN2O2 MolecularWeight: 525.24948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH2+]C(CCO)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH2+]C(CCO)CC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C31H56N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-31(35)33-26-20-25-32-30(24-27-34)28-29-21-17-16-18-22-29;/h16-18,21-22,30,32,34H,2-15,19-20,23-28H2,1H3,(H,33,35);1H