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

Systemtic Name: 4-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]carbonyl-2-methyl-phthalazin-1-one Openeye Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C18H22N4O4S/c1-20-17(23)15-5-3-2-4-14(15)16(19-20)18(24)22-9-7-21(8-10-22)13-6-11-27(25,26)12-13/h2-5,13H,6-12H2,1H3/p+1/t13-/m0/s1