[4-[(3S,4R)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3S,4R)-4-oxidanyl-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(3S,4R)-4-hydroxy-1,1-dioxo-thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3S,4R)-4-hydroxy-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(3S,4R)-4-hydroxy-1,1-diketo-thiolan-3-yl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C15H21N2O4S+ MolecularWeight: 325.40324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CS(=O)(=O)CC2O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CS(=O)(=O)C[C@@H]2O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H20N2O4S/c18-14-11-22(20,21)10-13(14)16-6-8-17(9-7-16)15(19)12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2/p+1/t13-,14+/m1/s1