2-[4-[2-(2-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(2-bromophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-[(2-bromophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2-bromophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(2-bromophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C20H22BrFN3O2S+ MolecularWeight: 467.374983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSC3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrFN3O2S/c21-17-3-1-2-4-18(17)28-14-20(27)25-11-9-24(10-12-25)13-19(26)23-16-7-5-15(22)6-8-16/h1-8H,9-14H2,(H,23,26)/p+1