N-(4-fluorophenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(E)-1-oxo-3-(phenylthio)prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(E)-3-phenylsulfanylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(E)-3-(phenylthio)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C21H22FN3O2S/c22-17-6-8-18(9-7-17)23-20(26)16-24-11-13-25(14-12-24)21(27)10-15-28-19-4-2-1-3-5-19/h1-10,15H,11-14,16H2,(H,23,26)/p+1/b15-10+