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

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C16H15F4N4O2+ MolecularWeight: 371.309513

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)F)[N+](=O)[O-])C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)F)[N+](=O)[O-])C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H14F4N4O2/c17-12-2-3-13(14(9-12)24(25)26)22-5-7-23(8-6-22)15-4-1-11(10-21-15)16(18,19)20/h1-4,9-10H,5-8H2/p+1