2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C19H19F3N3O4S+ MolecularWeight: 442.43207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C19H18F3N3O4S/c20-19(21,22)29-14-5-7-15(8-6-14)30(26,27)25-11-9-24(10-12-25)13-18-23-16-3-1-2-4-17(16)28-18/h1-8H,9-13H2/p+1