[dimethylamino(phenylcarbonyl)amino]-hexadecanoyl-dimethyl-azanium chloride

Systemtic Name: [dimethylamino(phenylcarbonyl)amino]-hexadecanoyl-dimethyl-azanium chloride Openeye Name: [benzoyl(dimethylamino)amino]-hexadecanoyl-dimethyl-ammonium chloride CAS Name: [benzoyl(dimethylamino)amino]-dimethyl-(1-oxohexadecyl)ammonium chloride IUPAC Name: [benzoyl(dimethylamino)amino]-hexadecanoyl-dimethylazanium chloride Traditional Name: [benzoyl(dimethylamino)amino]-hexadecanoyl-dimethyl-ammonium chloride Formula: C27H48ClN3O2 MolecularWeight: 482.14192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N3O2.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(31)30(4,5)29(28(2)3)27(32)25-22-19-18-20-23-25;/h18-20,22-23H,6-17,21,24H2,1-5H3;1H/q+1;/p-1