(2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-(2-chloranyl-6-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-(2-chloro-6-fluorophenyl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2R)-2-(2-chloro-6-fluoro-phenyl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C12H16ClFN3S+ MolecularWeight: 288.791943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=C(C=CC=C2Cl)F)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=C(C=CC=C2Cl)F)C(=S)N

InChI

InChI=1S/C12H15ClFN3S/c13-8-2-1-3-9(14)10(8)11(12(15)18)17-6-4-16-5-7-17/h1-3,11,16H,4-7H2,(H2,15,18)/p+1/t11-/m1/s1