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

Systemtic Name: 4-fluoranyl-3-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 4-fluoro-3-[(3-oxo-1-piperazin-1-iumyl)methyl]benzenecarbothioamide IUPAC Name: 4-fluoro-3-[(3-oxopiperazin-1-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 4-fluoro-3-[(3-ketopiperazin-1-ium-1-yl)methyl]thiobenzamide Formula: C12H15FN3OS+ MolecularWeight: 268.330403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3OS/c13-10-2-1-8(12(14)18)5-9(10)6-16-4-3-15-11(17)7-16/h1-2,5H,3-4,6-7H2,(H2,14,18)(H,15,17)/p+1