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

Systemtic Name: 2-[4-[2-(2-fluorophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-[(2-fluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(2-fluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-[(2-fluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O2S/c1-16-6-8-17(9-7-16)23-20(26)14-24-10-12-25(13-11-24)21(27)15-28-19-5-3-2-4-18(19)22/h2-9H,10-15H2,1H3,(H,23,26)/p+1