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

Systemtic Name: 2-methyl-4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]thiazole CAS Name: 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]thiazole Formula: C16H19F3N3O3S2+ MolecularWeight: 422.46557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H18F3N3O3S2/c1-12-20-13(11-26-12)10-21-6-8-22(9-7-21)27(23,24)15-4-2-14(3-5-15)25-16(17,18)19/h2-5,11H,6-10H2,1H3/p+1