2-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H19F2N4O3S+ MolecularWeight: 421.440966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C19H18F2N4O3S/c20-13-5-6-17(15(21)11-13)29(27,28)25-9-7-24(8-10-25)12-18-22-16-4-2-1-3-14(16)19(26)23-18/h1-6,11H,7-10,12H2,(H,22,23,26)/p+1