2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H21FN5OS+ MolecularWeight: 398.477043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=C(N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5OS/c21-16-6-4-15(5-7-16)17-13-23-20(24-17)28-14-19(27)26-11-9-25(10-12-26)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2,(H,23,24)/p+1