2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phthalazin-1-one Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c20-16-5-3-6-17(12-16)28(26,27)23-10-8-22(9-11-23)14-24-19(25)18-7-2-1-4-15(18)13-21-24/h1-7,12-13H,8-11,14H2/p+1