3-(octadecanoylamino)propyl-(3-oxidanylpropyl)-(phenylmethyl)azanium chloride

Systemtic Name: 3-(octadecanoylamino)propyl-(3-oxidanylpropyl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(3-hydroxypropyl)-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: 3-hydroxypropyl-[3-(1-oxooctadecylamino)propyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(3-hydroxypropyl)-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: benzyl-(3-hydroxypropyl)-(3-stearamidopropyl)ammonium chloride Formula: C31H57ClN2O2 MolecularWeight: 525.24948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+](CCCO)CC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCC[NH+](CCCO)CC1=CC=CC=C1.[Cl-]

InChI

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