[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[10-(triethylazaniumyl)decyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[10-(triethylazaniumyl)decyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[10-(triethylammonio)decyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[10-(triethylammonio)decyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[10-(triethylazaniumyl)decyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[10-(triethylammonio)decyl]ammonium dibromide Formula: C28H53Br2N3O2 MolecularWeight: 623.54732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1OC(=O)N(C)C.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1OC(=O)N(C)C.[Br-].[Br-]

InChI

InChI=1S/C28H53N3O2.2BrH/c1-8-31(9-2,10-3)24-20-16-14-12-11-13-15-19-23-30(6,7)25-26-21-17-18-22-27(26)33-28(32)29(4)5;;/h17-18,21-22H,8-16,19-20,23-25H2,1-7H3;2*1H/q+2;;/p-2