2-acetyloxyethyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: 2-acetyloxyethyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: 2-acetoxyethyl-[6-[dodecyl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: 2-acetyloxyethyl-[6-[dodecyl(dimethyl)ammonio]hexyl]-dimethylammonium dibromide IUPAC Name: 2-acetyloxyethyl-[6-[dodecyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: 2-acetoxyethyl-[6-[lauryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C26H56Br2N2O2 MolecularWeight: 588.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCOC(=O)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCOC(=O)C.[Br-].[Br-]

InChI

InChI=1S/C26H56N2O2.2BrH/c1-7-8-9-10-11-12-13-14-15-18-21-27(3,4)22-19-16-17-20-23-28(5,6)24-25-30-26(2)29;;/h7-25H2,1-6H3;2*1H/q+2;;/p-2