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

Systemtic Name: 4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(3S)-1,1-diketothiolan-3-yl]-N-p-anisyl-piperazin-4-ium-1-carboxamide Formula: C17H26N3O4S+ MolecularWeight: 368.47104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)C3CCS(=O)(=O)C3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C17H25N3O4S/c1-24-16-4-2-14(3-5-16)12-18-17(21)20-9-7-19(8-10-20)15-6-11-25(22,23)13-15/h2-5,15H,6-13H2,1H3,(H,18,21)/p+1/t15-/m0/s1