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

Systemtic Name: N-(4-fluorophenyl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[2-(phenylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-(2-phenylsulfanylethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[2-(phenylthio)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)CCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3OS/c21-17-6-8-18(9-7-17)22-20(25)16-24-12-10-23(11-13-24)14-15-26-19-4-2-1-3-5-19/h1-9H,10-16H2,(H,22,25)/p+1