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

Systemtic Name: 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium Openeye Name: 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-ium Traditional Name: 1-methyl-4-(2-nitro-4-triflyl-phenyl)piperazin-1-ium Formula: C12H15F3N3O4S+ MolecularWeight: 354.32541

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O4S/c1-16-4-6-17(7-5-16)10-3-2-9(8-11(10)18(19)20)23(21,22)12(13,14)15/h2-3,8H,4-7H2,1H3/p+1