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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS/c1-2-15-27-20-6-4-3-5-19(20)23-21(26)16-24-11-13-25(14-12-24)18-9-7-17(22)8-10-18/h2-10H,1,11-16H2,(H,23,26)/p+1