4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(3-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C15H21N4O5S+ MolecularWeight: 369.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O5S/c20-15(16-12-2-1-3-13(10-12)19(21)22)18-7-5-17(6-8-18)14-4-9-25(23,24)11-14/h1-3,10,14H,4-9,11H2,(H,16,20)/p+1/t14-/m0/s1