1,4-dimethyl-1,4-dioctadecyl-piperazine-1,4-diium dibromide

Systemtic Name: 1,4-dimethyl-1,4-dioctadecyl-piperazine-1,4-diium dibromide Openeye Name: 1,4-dimethyl-1,4-dioctadecyl-piperazine-1,4-diium dibromide CAS Name: 1,4-dimethyl-1,4-dioctadecylpiperazine-1,4-diium dibromide IUPAC Name: 1,4-dimethyl-1,4-dioctadecylpiperazine-1,4-diium dibromide Traditional Name: 1,4-dimethyl-1,4-distearyl-piperazine-1,4-diium dibromide Formula: C42H88Br2N2 MolecularWeight: 780.96952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CC[N+](CC1)(C)CCCCCCCCCCCCCCCCCC)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CC[N+](CC1)(C)CCCCCCCCCCCCCCCCCC)C.[Br-].[Br-]

InChI

InChI=1S/C42H88N2.2BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-43(3)39-41-44(4,42-40-43)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h5-42H2,1-4H3;2*1H/q+2;;/p-2