4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanethioamide

Systemtic Name: 4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanethioamide Openeye Name: 4-(3-oxopiperazin-1-ium-1-yl)butanethioamide CAS Name: 4-(3-oxo-1-piperazin-1-iumyl)butanethioamide IUPAC Name: 4-(3-oxopiperazin-1-ium-1-yl)butanethioamide Traditional Name: 4-(3-ketopiperazin-1-ium-1-yl)thiobutyramide Formula: C8H16N3OS+ MolecularWeight: 202.29714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15N3OS/c9-7(13)2-1-4-11-5-3-10-8(12)6-11/h1-6H2,(H2,9,13)(H,10,12)/p+1