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

Systemtic Name: N-pentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-pentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-pentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-pentyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-amyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H27F3N3O3S+ MolecularWeight: 422.48549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26F3N3O3S/c1-2-3-4-8-22-17(25)14-23-9-11-24(12-10-23)28(26,27)16-7-5-6-15(13-16)18(19,20)21/h5-7,13H,2-4,8-12,14H2,1H3,(H,22,25)/p+1