3-[dimethylamino(phenylcarbonyl)amino]propyl-dimethyl-octadecyl-azanium chloride

Systemtic Name: 3-[dimethylamino(phenylcarbonyl)amino]propyl-dimethyl-octadecyl-azanium chloride Openeye Name: 3-[benzoyl(dimethylamino)amino]propyl-dimethyl-octadecyl-ammonium chloride CAS Name: 3-[benzoyl(dimethylamino)amino]propyl-dimethyl-octadecylammonium chloride IUPAC Name: 3-[benzoyl(dimethylamino)amino]propyl-dimethyl-octadecylazanium chloride Traditional Name: 3-[benzoyl(dimethylamino)amino]propyl-dimethyl-stearyl-ammonium chloride Formula: C32H60ClN3O MolecularWeight: 538.2913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN(C(=O)C1=CC=CC=C1)N(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCN(C(=O)C1=CC=CC=C1)N(C)C.[Cl-]

InChI

InChI=1S/C32H60N3O.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-35(4,5)30-25-28-34(33(2)3)32(36)31-26-22-21-23-27-31;/h21-23,26-27H,6-20,24-25,28-30H2,1-5H3;1H/q+1;/p-1