trimethyl-(4-oxidanylidene-2-tridecanoyloxy-4-tridecoxy-butyl)azanium bromide

Systemtic Name: trimethyl-(4-oxidanylidene-2-tridecanoyloxy-4-tridecoxy-butyl)azanium bromide Openeye Name: trimethyl-(4-oxo-2-tridecanoyloxy-4-tridecoxy-butyl)ammonium bromide CAS Name: trimethyl-[4-oxo-2-(1-oxotridecoxy)-4-tridecoxybutyl]ammonium bromide IUPAC Name: trimethyl-(4-oxo-2-tridecanoyloxy-4-tridecoxybutyl)azanium bromide Traditional Name: (4-keto-2-tridecanoyloxy-4-tridecoxy-butyl)-trimethyl-ammonium bromide Formula: C33H66BrNO4 MolecularWeight: 620.78544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C33H66NO4.BrH/c1-6-8-10-12-14-16-18-20-22-24-26-28-37-33(36)29-31(30-34(3,4)5)38-32(35)27-25-23-21-19-17-15-13-11-9-7-2;/h31H,6-30H2,1-5H3;1H/q+1;/p-1