4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethylammonio]hexyl]-dimethylammonium dibromide IUPAC Name: 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: 4-(4-tert-butylphenoxy)butyl-[6-[4-(4-tert-butylphenoxy)butyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C38H66Br2N2O2 MolecularWeight: 742.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCOC2=CC=C(C=C2)C(C)(C)C.[Br-].[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCCOC2=CC=C(C=C2)C(C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C38H66N2O2.2BrH/c1-37(2,3)33-19-23-35(24-20-33)41-31-17-15-29-39(7,8)27-13-11-12-14-28-40(9,10)30-16-18-32-42-36-25-21-34(22-26-36)38(4,5)6;;/h19-26H,11-18,27-32H2,1-10H3;2*1H/q+2;;/p-2