(diphenylmethyl)-[6-[(diphenylmethyl)-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide

Systemtic Name: (diphenylmethyl)-[6-[(diphenylmethyl)-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide Openeye Name: benzhydryl-[6-[benzhydryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide CAS Name: (diphenylmethyl)-[6-[(diphenylmethyl)-dimethylammonio]hexyl]-dimethylammonium dibromide IUPAC Name: benzhydryl-[6-[benzhydryl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide Traditional Name: benzhydryl-[6-[benzhydryl(dimethyl)ammonio]hexyl]-dimethyl-ammonium dibromide Formula: C36H46Br2N2 MolecularWeight: 666.57184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCC[N+](C)(C)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCCCCC[N+](C)(C)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C36H46N2.2BrH/c1-37(2,35(31-21-11-7-12-22-31)32-23-13-8-14-24-32)29-19-5-6-20-30-38(3,4)36(33-25-15-9-16-26-33)34-27-17-10-18-28-34;;/h7-18,21-28,35-36H,5-6,19-20,29-30H2,1-4H3;2*1H/q+2;;/p-2