4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 4-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 4-[(3-oxo-1-piperazin-1-iumyl)methyl]benzenecarbothioamide IUPAC Name: 4-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-[(3-ketopiperazin-1-ium-1-yl)methyl]thiobenzamide Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H15N3OS/c13-12(17)10-3-1-9(2-4-10)7-15-6-5-14-11(16)8-15/h1-4H,5-8H2,(H2,13,17)(H,14,16)/p+1