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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H23N3O3S/c1-13-2-4-14(5-3-13)17-16(20)19-9-7-18(8-10-19)15-6-11-23(21,22)12-15/h2-5,15H,6-12H2,1H3,(H,17,20)/p+1/t15-/m0/s1