1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium dibromide

Systemtic Name: 1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium dibromide Openeye Name: 1,4-diallyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium dibromide CAS Name: 1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium dibromide IUPAC Name: 1,4-bis(1-phenylpropan-2-yl)-1,4-bis(prop-2-enyl)piperazine-1,4-diium dibromide Traditional Name: 1,4-diallyl-1,4-bis(1-methyl-2-phenyl-ethyl)piperazine-1,4-diium dibromide Formula: C56H80Br2N4+2 MolecularWeight: 969.0692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3)CC=C.CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3)CC=C.[Br-].[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3)CC=C.CC(CC1=CC=CC=C1)[N+]2(CC[N+](CC2)(CC=C)C(C)CC3=CC=CC=C3)CC=C.[Br-].[Br-]

InChI

InChI=1S/2C28H40N2.2BrH/c2*1-5-17-29(25(3)23-27-13-9-7-10-14-27)19-21-30(18-6-2,22-20-29)26(4)24-28-15-11-8-12-16-28;;/h2*5-16,25-26H,1-2,17-24H2,3-4H3;2*1H/q2*+2;;/p-2