[4-[(4-nitrophenyl)methyl]-4-[10-[1-[(4-nitrophenyl)methyl]-4-(phenylcarbonyl)piperazin-1-ium-1-yl]decyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(4-nitrophenyl)methyl]-4-[10-[1-[(4-nitrophenyl)methyl]-4-(phenylcarbonyl)piperazin-1-ium-1-yl]decyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[10-[4-benzoyl-1-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]decyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[10-[4-benzoyl-1-[(4-nitrophenyl)methyl]-1-piperazin-1-iumyl]decyl]-4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[10-[4-benzoyl-1-[(4-nitrophenyl)methyl]piperazin-1-ium-1-yl]decyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[10-[4-benzoyl-1-(4-nitrobenzyl)piperazin-1-ium-1-yl]decyl]-4-(4-nitrobenzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C46H58N6O6+2 MolecularWeight: 790.98932

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C(=O)C2=CC=CC=C2)(CCCCCCCCCC[N+]3(CCN(CC3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-])CC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C[N+](CCN1C(=O)C2=CC=CC=C2)(CCCCCCCCCC[N+]3(CCN(CC3)C(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-])CC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C46H58N6O6/c53-45(41-15-9-7-10-16-41)47-27-33-51(34-28-47,37-39-19-23-43(24-20-39)49(55)56)31-13-5-3-1-2-4-6-14-32-52(38-40-21-25-44(26-22-40)50(57)58)35-29-48(30-36-52)46(54)42-17-11-8-12-18-42/h7-12,15-26H,1-6,13-14,27-38H2/q+2