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

Systemtic Name: 2-[4-[2-(4-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[2-[(4-fluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-[(4-fluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H25FN3O2S+ MolecularWeight: 354.462703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O2S/c1-13(2)19-16(22)11-20-7-9-21(10-8-20)17(23)12-24-15-5-3-14(18)4-6-15/h3-6,13H,7-12H2,1-2H3,(H,19,22)/p+1