3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide

Systemtic Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide Openeye Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide CAS Name: 3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]propanethioamide IUPAC Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanethioamide Traditional Name: 3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]thiopropionamide Formula: C13H19FN3S+ MolecularWeight: 268.373463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=S)N)C2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=S)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FN3S/c14-11-1-3-12(4-2-11)17-9-7-16(8-10-17)6-5-13(15)18/h1-4H,5-10H2,(H2,15,18)/p+1