[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[16-(trimethylazaniumyl)hexadecyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[16-(trimethylazaniumyl)hexadecyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[16-(trimethylammonio)hexadecyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[16-(trimethylammonio)hexadecyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[16-(trimethylazaniumyl)hexadecyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[16-(trimethylammonio)hexadecyl]ammonium dibromide Formula: C31H59Br2N3O2 MolecularWeight: 665.62706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=CC=C1C[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CN(C)C(=O)OC1=CC=CC=C1C[N+](C)(C)CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C31H59N3O2.2BrH/c1-32(2)31(35)36-30-25-21-20-24-29(30)28-34(6,7)27-23-19-17-15-13-11-9-8-10-12-14-16-18-22-26-33(3,4)5;;/h20-21,24-25H,8-19,22-23,26-28H2,1-7H3;2*1H/q+2;;/p-2