2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H19Cl2N4O3S+ MolecularWeight: 454.35016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C=N2)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C19H18Cl2N4O3S/c20-16-6-3-7-17(21)18(16)29(27,28)24-10-8-23(9-11-24)13-25-19(26)15-5-2-1-4-14(15)12-22-25/h1-7,12H,8-11,13H2/p+1