[3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(4-fluorophenyl)-2-methylsulfanyl-imidazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-fluorophenyl)-2-(methylthio)-4-imidazolyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(4-fluorophenyl)-2-(methylthio)imidazol-4-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H26FN4OS+ MolecularWeight: 425.542143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H25FN4OS/c1-30-23-25-17-21(28(23)20-9-7-19(24)8-10-20)22(29)27-15-13-26(14-16-27)12-11-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3/p+1