2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C13H17F3N3O3S+ MolecularWeight: 352.35259

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N3O3S/c14-13(15,16)10-1-3-11(4-2-10)23(21,22)19-7-5-18(6-8-19)9-12(17)20/h1-4H,5-9H2,(H2,17,20)/p+1