4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C17H20N4O4S/c22-16-14-4-2-1-3-13(14)15(18-19-16)17(23)21-8-6-20(7-9-21)12-5-10-26(24,25)11-12/h1-4,12H,5-11H2,(H,19,22)/p+1/t12-/m0/s1