N-(2-methylpropyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H25F3N3O4S+ MolecularWeight: 424.45831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C17H24F3N3O4S/c1-13(2)11-21-16(24)12-22-7-9-23(10-8-22)28(25,26)15-5-3-14(4-6-15)27-17(18,19)20/h3-6,13H,7-12H2,1-2H3,(H,21,24)/p+1