N-(3-fluorophenyl)-2-[4-[2-(4-methylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-(4-methylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-(p-tolylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-[(4-methylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-(p-tolylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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