6-(3-hexadecoxy-2-methoxy-propoxy)hexyl-trimethyl-azanium bromide

Systemtic Name: 6-(3-hexadecoxy-2-methoxy-propoxy)hexyl-trimethyl-azanium bromide Openeye Name: 6-(3-hexadecoxy-2-methoxy-propoxy)hexyl-trimethyl-ammonium bromide CAS Name: 6-(3-hexadecoxy-2-methoxypropoxy)hexyl-trimethylammonium bromide IUPAC Name: 6-(3-hexadecoxy-2-methoxypropoxy)hexyl-trimethylazanium bromide Traditional Name: 6-(3-cetyloxy-2-methoxy-propoxy)hexyl-trimethyl-ammonium bromide Formula: C29H62BrNO3 MolecularWeight: 552.71148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCCCCC[N+](C)(C)C)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCCCCC[N+](C)(C)C)OC.[Br-]

InChI

InChI=1S/C29H62NO3.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-32-27-29(31-5)28-33-26-23-20-18-21-24-30(2,3)4;/h29H,6-28H2,1-5H3;1H/q+1;/p-1