5-[3-(octadecanoylamino)-2-propyl-phenyl]nonan-5-ylazanium chloride

Systemtic Name: 5-[3-(octadecanoylamino)-2-propyl-phenyl]nonan-5-ylazanium chloride Openeye Name: [1-butyl-1-[3-(octadecanoylamino)-2-propyl-phenyl]pentyl]ammonium chloride CAS Name: 5-[3-(1-oxooctadecylamino)-2-propylphenyl]nonan-5-ylammonium chloride IUPAC Name: 5-[3-(octadecanoylamino)-2-propylphenyl]nonan-5-ylazanium chloride Traditional Name: [1-butyl-1-(2-propyl-3-stearamido-phenyl)pentyl]ammonium chloride Formula: C36H67ClN2O MolecularWeight: 579.38298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1CCC)C(CCCC)(CCCC)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC(=C1CCC)C(CCCC)(CCCC)[NH3+].[Cl-]

InChI

InChI=1S/C36H66N2O.ClH/c1-5-9-12-13-14-15-16-17-18-19-20-21-22-23-24-29-35(39)38-34-28-25-27-33(32(34)26-8-4)36(37,30-10-6-2)31-11-7-3;/h25,27-28H,5-24,26,29-31,37H2,1-4H3,(H,38,39);1H