6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H24F3N4O5S+ MolecularWeight: 513.50997

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F)OC

InChI

InChI=1S/C22H23F3N4O5S/c1-33-17-11-14-16(12-18(17)34-2)26-20(27-21(14)30)13-28-7-9-29(10-8-28)35(31,32)19-6-4-3-5-15(19)22(23,24)25/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27,30)/p+1