N-(3-fluorophenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[[4-(methylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[4-(methylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H23FN3O2S+ MolecularWeight: 388.478923

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H22FN3O2S/c1-27-18-7-5-15(6-8-18)20(26)24-11-9-23(10-12-24)14-19(25)22-17-4-2-3-16(21)13-17/h2-8,13H,9-12,14H2,1H3,(H,22,25)/p+1