[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[7-(trimethylazaniumyl)heptyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[7-(trimethylazaniumyl)heptyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[7-(trimethylammonio)heptyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[7-(trimethylammonio)heptyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[7-(trimethylazaniumyl)heptyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[7-(trimethylammonio)heptyl]ammonium dibromide Formula: C22H41Br2N3O2 MolecularWeight: 539.38784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41N3O2.2BrH/c1-23(2)22(26)27-21-16-12-11-15-20(21)19-25(6,7)18-14-10-8-9-13-17-24(3,4)5;;/h11-12,15-16H,8-10,13-14,17-19H2,1-7H3;2*1H/q+2;;/p-2