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

Systemtic Name: N-butyl-2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C17H24ClF3N3O3S+ MolecularWeight: 442.90397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClF3N3O3S/c1-2-3-6-22-16(25)12-23-7-9-24(10-8-23)28(26,27)13-4-5-15(18)14(11-13)17(19,20)21/h4-5,11H,2-3,6-10,12H2,1H3,(H,22,25)/p+1