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

Systemtic Name: N-(1-adamantyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H31F3N3O3S+ MolecularWeight: 486.57075

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C23H30F3N3O3S/c24-23(25,26)19-2-1-3-20(11-19)33(31,32)29-6-4-28(5-7-29)15-21(30)27-22-12-16-8-17(13-22)10-18(9-16)14-22/h1-3,11,16-18H,4-10,12-15H2,(H,27,30)/p+1