[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[6-(trimethylammonio)hexyl]ammonium dibromide Formula: C21H39Br2N3O2 MolecularWeight: 525.36126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N3O2.2BrH/c1-22(2)21(25)26-20-15-11-10-14-19(20)18-24(6,7)17-13-9-8-12-16-23(3,4)5;;/h10-11,14-15H,8-9,12-13,16-18H2,1-7H3;2*1H/q+2;;/p-2