[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[11-(trimethylazaniumyl)undecyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[11-(trimethylazaniumyl)undecyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[11-(trimethylammonio)undecyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[11-(trimethylammonio)undecyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[11-(trimethylazaniumyl)undecyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[11-(trimethylammonio)undecyl]ammonium dibromide Formula: C26H49Br2N3O2 MolecularWeight: 595.49416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H49N3O2.2BrH/c1-27(2)26(30)31-25-20-16-15-19-24(25)23-29(6,7)22-18-14-12-10-8-9-11-13-17-21-28(3,4)5;;/h15-16,19-20H,8-14,17-18,21-23H2,1-7H3;2*1H/q+2;;/p-2