1-(2-nitrophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H19F3N3O4S+ MolecularWeight: 430.42137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)15-6-2-1-5-14(15)13-22-9-11-23(12-10-22)29(27,28)17-8-4-3-7-16(17)24(25)26/h1-8H,9-13H2/p+1