(4-nitrophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-nitrophenyl)-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C18H19N4O5+ MolecularWeight: 371.36726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5/c23-18(15-4-6-16(7-5-15)21(24)25)20-10-8-19(9-11-20)13-14-2-1-3-17(12-14)22(26)27/h1-7,12H,8-11,13H2/p+1