1-[3-fluoranyl-4-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[[2-(2-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H21FN3OS2+ MolecularWeight: 402.528643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CS4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CSC(=N3)C4=CC=CS4)F

InChI

InChI=1S/C20H20FN3OS2/c1-14(25)15-4-5-18(17(21)11-15)24-8-6-23(7-9-24)12-16-13-27-20(22-16)19-3-2-10-26-19/h2-5,10-11,13H,6-9,12H2,1H3/p+1