3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanethioamide

Systemtic Name: 3-(3-oxidanylidenepiperazin-1-ium-1-yl)propanethioamide Openeye Name: 3-(3-oxopiperazin-1-ium-1-yl)propanethioamide CAS Name: 3-(3-oxo-1-piperazin-1-iumyl)propanethioamide IUPAC Name: 3-(3-oxopiperazin-1-ium-1-yl)propanethioamide Traditional Name: 3-(3-ketopiperazin-1-ium-1-yl)thiopropionamide Formula: C7H14N3OS+ MolecularWeight: 188.27056

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCC(=S)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCC(=S)N

InChI

InChI=1S/C7H13N3OS/c8-6(12)1-3-10-4-2-9-7(11)5-10/h1-5H2,(H2,8,12)(H,9,11)/p+1