2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C13H16ClF3N3O3S+ MolecularWeight: 386.79765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClF3N3O3S/c14-11-2-1-9(7-10(11)13(15,16)17)24(22,23)20-5-3-19(4-6-20)8-12(18)21/h1-2,7H,3-6,8H2,(H2,18,21)/p+1