N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O3S+ MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c20-16(17-14-6-11-23(21,22)13-14)12-18-7-9-19(10-8-18)15-4-2-1-3-5-15/h1-5,14H,6-13H2,(H,17,20)/p+1/t14-/m0/s1