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

Systemtic Name: 1-[4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[(2-tert-butyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[(2-tert-butylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-3-fluoro-phenyl]ethanone Formula: C20H27FN3OS+ MolecularWeight: 376.511283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN3OS/c1-14(25)15-5-6-18(17(21)11-15)24-9-7-23(8-10-24)12-16-13-26-19(22-16)20(2,3)4/h5-6,11,13H,7-10,12H2,1-4H3/p+1