1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2-nitro-4-triflyl-phenyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H16F3N4O4S+ MolecularWeight: 417.38285

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H15F3N4O4S/c17-16(18,19)28(26,27)12-4-5-13(14(11-12)23(24)25)21-7-9-22(10-8-21)15-3-1-2-6-20-15/h1-6,11H,7-10H2/p+1