3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]imidazole-4-carboxamide Formula: C23H27FN5OS+ MolecularWeight: 440.556783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H26FN5OS/c1-31-23-26-17-21(29(23)20-9-7-18(24)8-10-20)22(30)25-11-12-27-13-15-28(16-14-27)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,25,30)/p+1