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

Systemtic Name: 3-[4-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-[(3S)-1,1-dioxo-3-thiolanyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-[(3S)-1,1-diketothiolan-3-yl]piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O3S/c21-17(18-15-4-2-1-3-5-15)6-8-19-9-11-20(12-10-19)16-7-13-24(22,23)14-16/h1-5,16H,6-14H2,(H,18,21)/p+1/t16-/m0/s1