N-tert-butyl-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-(4-fluorophenyl)thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[4-(4-fluorophenyl)-2-thiazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-(4-fluorophenyl)thiazol-2-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H28FN4OS+ MolecularWeight: 391.525923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4OS/c1-20(2,3)23-18(26)12-24-8-10-25(11-9-24)13-19-22-17(14-27-19)15-4-6-16(21)7-5-15/h4-7,14H,8-13H2,1-3H3,(H,23,26)/p+1