1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]-4-(2-thienyl)butane-1,4-dione Formula: C16H23N2O4S2+ MolecularWeight: 371.49482

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N2O4S2/c19-14(15-2-1-10-23-15)3-4-16(20)18-8-6-17(7-9-18)13-5-11-24(21,22)12-13/h1-2,10,13H,3-9,11-12H2/p+1/t13-/m0/s1