N-tert-butyl-2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2-cyano-3-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C17H24FN4O+ MolecularWeight: 319.397063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=CC=C2)F)C#N

InChI

InChI=1S/C17H23FN4O/c1-17(2,3)20-16(23)12-21-7-9-22(10-8-21)15-6-4-5-14(18)13(15)11-19/h4-6H,7-10,12H2,1-3H3,(H,20,23)/p+1