dimethyl-octadecyl-(phenylmethyl)azanium; trimethyl-[3-(undecanoylamino)propyl]azanium; diiodide

Systemtic Name: dimethyl-octadecyl-(phenylmethyl)azanium; trimethyl-[3-(undecanoylamino)propyl]azanium; diiodide Openeye Name: benzyl-dimethyl-octadecyl-ammonium; trimethyl-[3-(undecanoylamino)propyl]ammonium; diiodide CAS Name: dimethyl-octadecyl-(phenylmethyl)ammonium; trimethyl-[3-(1-oxoundecylamino)propyl]ammonium; diiodide IUPAC Name: benzyl-dimethyl-octadecylazanium; trimethyl-[3-(undecanoylamino)propyl]azanium; diiodide Traditional Name: benzyl-dimethyl-stearyl-ammonium; trimethyl-[3-(undecanoylamino)propyl]ammonium; diiodide Formula: C44H87I2N3O MolecularWeight: 927.99002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.C17H36N2O.2HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;1-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)4;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;5-16H2,1-4H3;2*1H/q+1;;;/p-1