7,8-dimethyl-4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]coumarin Formula: C23H24F3N2O5S+ MolecularWeight: 497.50727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)C

InChI

InChI=1S/C23H23F3N2O5S/c1-15-3-8-20-17(13-21(29)32-22(20)16(15)2)14-27-9-11-28(12-10-27)34(30,31)19-6-4-18(5-7-19)33-23(24,25)26/h3-8,13H,9-12,14H2,1-2H3/p+1