3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-phenyl-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]isoxazole Formula: C21H21F3N3O3S+ MolecularWeight: 452.46995

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)17-6-8-19(9-7-17)31(28,29)27-12-10-26(11-13-27)15-18-14-20(25-30-18)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2/p+1