N-(furan-2-ylmethyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-furanylmethyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-furfuryl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H21F3N3O5S+ MolecularWeight: 448.43665

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H20F3N3O5S/c19-18(20,21)29-14-3-5-16(6-4-14)30(26,27)24-9-7-23(8-10-24)13-17(25)22-12-15-2-1-11-28-15/h1-6,11H,7-10,12-13H2,(H,22,25)/p+1