4-[3-[3,5-bis(oxidanylidene)-4-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]piperazin-1-yl]butan-2-yl]-1-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]piperazine-2,6-dione

Systemtic Name: 4-[3-[3,5-bis(oxidanylidene)-4-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]piperazin-1-yl]butan-2-yl]-1-[[1-(phenylmethyl)piperazin-1-ium-1-yl]methyl]piperazine-2,6-dione Openeye Name: 1-[(1-benzylpiperazin-1-ium-1-yl)methyl]-4-[2-[4-[(1-benzylpiperazin-1-ium-1-yl)methyl]-3,5-dioxo-piperazin-1-yl]-1-methyl-propyl]piperazine-2,6-dione CAS Name: 4-[3-[3,5-dioxo-4-[[1-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-piperazinyl]butan-2-yl]-1-[[1-(phenylmethyl)-1-piperazin-1-iumyl]methyl]piperazine-2,6-dione IUPAC Name: 1-[(1-benzylpiperazin-1-ium-1-yl)methyl]-4-[3-[4-[(1-benzylpiperazin-1-ium-1-yl)methyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione Traditional Name: 1-[(1-benzylpiperazin-1-ium-1-yl)methyl]-4-[2-[4-[(1-benzylpiperazin-1-ium-1-yl)methyl]-3,5-diketo-piperazino]-1-methyl-propyl]piperazine-2,6-quinone Formula: C36H52N8O4+2 MolecularWeight: 660.84928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)N1CC(=O)N(C(=O)C1)C[N+]2(CCNCC2)CC3=CC=CC=C3)N4CC(=O)N(C(=O)C4)C[N+]5(CCNCC5)CC6=CC=CC=C6

Isomeric SMILES

CC(C(C)N1CC(=O)N(C(=O)C1)C[N+]2(CCNCC2)CC3=CC=CC=C3)N4CC(=O)N(C(=O)C4)C[N+]5(CCNCC5)CC6=CC=CC=C6

InChI

InChI=1S/C36H52N8O4/c1-29(39-21-33(45)41(34(46)22-39)27-43(17-13-37-14-18-43)25-31-9-5-3-6-10-31)30(2)40-23-35(47)42(36(48)24-40)28-44(19-15-38-16-20-44)26-32-11-7-4-8-12-32/h3-12,29-30,37-38H,13-28H2,1-2H3/q+2