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

Systemtic Name: 2-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-4-ium-1-yl]benzoate Openeye Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]benzoate CAS Name: 2-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-4-iumyl]benzoate IUPAC Name: 2-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]benzoate Traditional Name: 2-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-4-ium-1-yl]benzoate Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C15H20N2O4S/c18-15(19)13-3-1-2-4-14(13)17-8-6-16(7-9-17)12-5-10-22(20,21)11-12/h1-4,12H,5-11H2,(H,18,19)/t12-/m0/s1