1,4-didodecyl-2,5-dimethyl-1,4-bis(prop-2-ynyl)piperazine-1,4-diium dibromide

Systemtic Name: 1,4-didodecyl-2,5-dimethyl-1,4-bis(prop-2-ynyl)piperazine-1,4-diium dibromide Openeye Name: 1,4-didodecyl-2,5-dimethyl-1,4-bis(prop-2-ynyl)piperazine-1,4-diium dibromide CAS Name: 1,4-didodecyl-2,5-dimethyl-1,4-bis(prop-2-ynyl)piperazine-1,4-diium dibromide IUPAC Name: 1,4-didodecyl-2,5-dimethyl-1,4-bis(prop-2-ynyl)piperazine-1,4-diium dibromide Traditional Name: 1,4-dilauryl-2,5-dimethyl-1,4-dipropargyl-piperazine-1,4-diium dibromide Formula: C36H68Br2N2 MolecularWeight: 688.74652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CC([N+](CC1C)(CCCCCCCCCCCC)CC#C)C)CC#C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CC([N+](CC1C)(CCCCCCCCCCCC)CC#C)C)CC#C.[Br-].[Br-]

InChI

InChI=1S/C36H68N2.2BrH/c1-7-11-13-15-17-19-21-23-25-27-31-37(29-9-3)33-36(6)38(30-10-4,34-35(37)5)32-28-26-24-22-20-18-16-14-12-8-2;;/h3-4,35-36H,7-8,11-34H2,1-2,5-6H3;2*1H/q+2;;/p-2