2-hydroxyethyl-methyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium chloride

Systemtic Name: 2-hydroxyethyl-methyl-[3-(octadecanoylamino)propyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2-hydroxyethyl)-methyl-[3-(octadecanoylamino)propyl]ammonium chloride CAS Name: 2-hydroxyethyl-methyl-[3-(1-oxooctadecylamino)propyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2-hydroxyethyl)-methyl-[3-(octadecanoylamino)propyl]azanium chloride Traditional Name: benzyl-(2-hydroxyethyl)-methyl-(3-stearamidopropyl)ammonium chloride Formula: C31H57ClN2O2 MolecularWeight: 525.24948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H56N2O2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30;/h17-19,22-23,34H,3-16,20-21,24-29H2,1-2H3;1H