[2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[12-(trimethylazaniumyl)dodecyl]azanium dibromide

Systemtic Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[12-(trimethylazaniumyl)dodecyl]azanium dibromide Openeye Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[12-(trimethylammonio)dodecyl]ammonium dibromide CAS Name: [2-[dimethylamino(oxo)methoxy]phenyl]methyl-dimethyl-[12-(trimethylammonio)dodecyl]ammonium dibromide IUPAC Name: [2-(dimethylcarbamoyloxy)phenyl]methyl-dimethyl-[12-(trimethylazaniumyl)dodecyl]azanium dibromide Traditional Name: [2-(dimethylcarbamoyloxy)benzyl]-dimethyl-[12-(trimethylammonio)dodecyl]ammonium dibromide Formula: C27H51Br2N3O2 MolecularWeight: 609.52074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H51N3O2.2BrH/c1-28(2)27(31)32-26-21-17-16-20-25(26)24-30(6,7)23-19-15-13-11-9-8-10-12-14-18-22-29(3,4)5;;/h16-17,20-21H,8-15,18-19,22-24H2,1-7H3;2*1H/q+2;;/p-2