4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(5-methyl-3-isoxazolyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(5-methylisoxazol-3-yl)piperazin-4-ium-1-carboxamide Formula: C13H21N4O4S+ MolecularWeight: 329.39524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C13H20N4O4S/c1-10-8-12(15-21-10)14-13(18)17-5-3-16(4-6-17)11-2-7-22(19,20)9-11/h8,11H,2-7,9H2,1H3,(H,14,15,18)/p+1/t11-/m0/s1