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

Systemtic Name: 2-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H19F3N3O2S2+ MolecularWeight: 442.49827

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O2S2/c20-19(21,22)14-5-7-15(8-6-14)29(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