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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine CAS Name: 1-(2-chloro-4-nitrophenyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazine IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine Formula: C16H15ClF3N4O2+ MolecularWeight: 387.76411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClF3N4O2/c17-13-9-12(24(25)26)2-3-14(13)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