1,8-bis[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octane-1,8-dione dibromide

Systemtic Name: 1,8-bis[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]octane-1,8-dione dibromide Openeye Name: 1,8-bis(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octane-1,8-dione dibromide CAS Name: 1,8-bis[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]octane-1,8-dione dibromide IUPAC Name: 1,8-bis(4-benzyl-4-methylpiperazin-4-ium-1-yl)octane-1,8-dione dibromide Traditional Name: 1,8-bis(4-benzyl-4-methyl-piperazin-4-ium-1-yl)octane-1,8-dione dibromide Formula: C32H48Br2N4O2 MolecularWeight: 680.55712

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)CCCCCCC(=O)N2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)CCCCCCC(=O)N2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C32H48N4O2.2BrH/c1-35(27-29-13-7-5-8-14-29)23-19-33(20-24-35)31(37)17-11-3-4-12-18-32(38)34-21-25-36(2,26-22-34)28-30-15-9-6-10-16-30;;/h5-10,13-16H,3-4,11-12,17-28H2,1-2H3;2*1H/q+2;;/p-2