1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2-nitro-5-piperazin-4-ium-1-ylphenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C21H24F3N6O4+ MolecularWeight: 481.44827

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N6O4/c22-21(23,24)15-1-3-17(20(13-15)30(33)34)27-9-11-28(12-10-27)19-14-16(2-4-18(19)29(31)32)26-7-5-25-6-8-26/h1-4,13-14,25H,5-12H2/p+1