1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylsulfanylphenyl)imino-indol-2-one

Systemtic Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylsulfanylphenyl)imino-indol-2-one Openeye Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylsulfanylphenyl)imino-indolin-2-one CAS Name: 1-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-[2-(methylthio)phenyl]imino-2-indolone IUPAC Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-(2-methylsulfanylphenyl)iminoindol-2-one Traditional Name: 1-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-[2-(methylthio)phenyl]imino-oxindole Formula: C26H26FN4OS+ MolecularWeight: 461.574243

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CSC1=CC=CC=C1N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H25FN4OS/c1-33-24-13-7-4-10-21(24)28-25-19-8-2-5-11-22(19)31(26(25)32)18-29-14-16-30(17-15-29)23-12-6-3-9-20(23)27/h2-13H,14-18H2,1H3/p+1