1-(4-nitrophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-nitrophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(4-nitrophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-nitrophenyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C17H19N4O4+ MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c22-20(23)16-7-5-15(6-8-16)19-11-9-18(10-12-19)13-14-3-1-2-4-17(14)21(24)25/h1-8H,9-13H2/p+1