3-(hexadecanoylamino)propyl-dimethyl-(1-methylsulfonyloxytetradecyl)azanium

Systemtic Name: 3-(hexadecanoylamino)propyl-dimethyl-(1-methylsulfonyloxytetradecyl)azanium Openeye Name: 3-(hexadecanoylamino)propyl-dimethyl-(1-methylsulfonyloxytetradecyl)ammonium CAS Name: dimethyl-(1-methylsulfonyloxytetradecyl)-[3-(1-oxohexadecylamino)propyl]ammonium IUPAC Name: 3-(hexadecanoylamino)propyl-dimethyl-(1-methylsulfonyloxytetradecyl)azanium Traditional Name: dimethyl-(1-methylsulfonyloxytetradecyl)-(3-palmitamidopropyl)ammonium Formula: C36H75N2O4S+ MolecularWeight: 632.0567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(CCCCCCCCCCCCC)OS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C(CCCCCCCCCCCCC)OS(=O)(=O)C

InChI

InChI=1S/C36H74N2O4S/c1-6-8-10-12-14-16-18-19-21-22-24-26-28-31-35(39)37-33-30-34-38(3,4)36(42-43(5,40)41)32-29-27-25-23-20-17-15-13-11-9-7-2/h36H,6-34H2,1-5H3/p+1