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

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4O4S/c28-22-20-9-5-4-8-19(20)21(24-27(22)17-6-2-1-3-7-17)23(29)26-13-11-25(12-14-26)18-10-15-32(30,31)16-18/h1-9,18H,10-16H2/p+1/t18-/m0/s1