1-(3-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(3-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(3-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C18H19F3N3O4S+ MolecularWeight: 430.42137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

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