dimethyl-[1-(2-methylprop-2-enoylamino)propyl]-octadecyl-azanium chloride

Systemtic Name: dimethyl-[1-(2-methylprop-2-enoylamino)propyl]-octadecyl-azanium chloride Openeye Name: dimethyl-[1-(2-methylprop-2-enoylamino)propyl]-octadecyl-ammonium chloride CAS Name: dimethyl-[1-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]-octadecylammonium chloride IUPAC Name: dimethyl-[1-(2-methylprop-2-enoylamino)propyl]-octadecylazanium chloride Traditional Name: 1-methacrylamidopropyl-dimethyl-stearyl-ammonium chloride Formula: C27H55ClN2O MolecularWeight: 459.1914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H54N2O.ClH/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(5,6)26(8-2)28-27(30)25(3)4;/h26H,3,7-24H2,1-2,4-6H3;1H