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

Systemtic Name: 2-[4-[2-(2,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-[(2,4-dimethylphenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H27FN3O2S+ MolecularWeight: 416.532083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O2S/c1-16-3-8-20(17(2)13-16)29-15-22(28)26-11-9-25(10-12-26)14-21(27)24-19-6-4-18(23)5-7-19/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)/p+1