3-nitro-N-[3-[4-[3-[(3-nitrophenyl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 3-nitro-N-[3-[4-[3-[(3-nitrophenyl)carbonylamino]propyl]piperazin-1-ium-1-yl]propyl]benzamide Openeye Name: 3-nitro-N-[3-[4-[3-[(3-nitrobenzoyl)amino]propyl]piperazin-1-ium-1-yl]propyl]benzamide CAS Name: 3-nitro-N-[3-[4-[3-[[(3-nitrophenyl)-oxomethyl]amino]propyl]-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 3-nitro-N-[3-[4-[3-[(3-nitrobenzoyl)amino]propyl]piperazin-1-ium-1-yl]propyl]benzamide Traditional Name: 3-nitro-N-[3-[4-[3-[(3-nitrobenzoyl)amino]propyl]piperazin-1-ium-1-yl]propyl]benzamide Formula: C24H31N6O6+ MolecularWeight: 499.53954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O6/c31-23(19-5-1-7-21(17-19)29(33)34)25-9-3-11-27-13-15-28(16-14-27)12-4-10-26-24(32)20-6-2-8-22(18-20)30(35)36/h1-2,5-8,17-18H,3-4,9-16H2,(H,25,31)(H,26,32)/p+1