methyl sulfate; trimethyl-[3-(octadecanoylamino)propyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-(octadecanoylamino)propyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-(octadecanoylamino)propyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-(1-oxooctadecylamino)propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-(octadecanoylamino)propyl]azanium Traditional Name: methyl sulfate; trimethyl(3-stearamidopropyl)ammonium Formula: C25H54N2O5S MolecularWeight: 494.77166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H50N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h5-23H2,1-4H3;1H3,(H,2,3,4)