1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Openeye Name: 1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one CAS Name: 1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolone IUPAC Name: 1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Traditional Name: 1-methyl-3-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Formula: C20H22F3N4O3S+ MolecularWeight: 455.47389

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O3S/c1-24-17-7-2-3-8-18(17)27(19(24)28)14-25-9-11-26(12-10-25)31(29,30)16-6-4-5-15(13-16)20(21,22)23/h2-8,13H,9-12,14H2,1H3/p+1