2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-nitro-4-triflyl-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C13H17F3N3O5S+ MolecularWeight: 384.35139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O5S/c14-13(15,16)25(23,24)10-1-2-11(12(9-10)19(21)22)18-5-3-17(4-6-18)7-8-20/h1-2,9,20H,3-8H2/p+1