methyl sulfate; trimethyl-[1-(octadecanoylamino)propyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[1-(octadecanoylamino)propyl]azanium Openeye Name: methyl sulfate; trimethyl-[1-(octadecanoylamino)propyl]ammonium CAS Name: methyl sulfate; trimethyl-[1-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[1-(octadecanoylamino)propyl]azanium Traditional Name: methyl sulfate; trimethyl(1-stearamidopropyl)ammonium Formula: C25H54N2O5S MolecularWeight: 494.77166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50N2O.CH4O4S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(27)25-23(7-2)26(3,4)5;1-5-6(2,3)4/h23H,6-22H2,1-5H3;1H3,(H,2,3,4)