(2R)-2-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2R)-2-(4-fluorophenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-(4-fluorophenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2R)-2-(4-fluorophenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C12H17FN3S+ MolecularWeight: 254.346883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC=C(C=C2)F)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC=C(C=C2)F)C(=S)N

InChI

InChI=1S/C12H16FN3S/c13-10-3-1-9(2-4-10)11(12(14)17)16-7-5-15-6-8-16/h1-4,11,15H,5-8H2,(H2,14,17)/p+1/t11-/m1/s1