2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H19F2N4O3S+ MolecularWeight: 421.440966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC(=C(C=C4)F)F

InChI

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