N-tert-butyl-2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[(2R)-1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-tert-butyl-2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-tert-butyl-2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-tert-butyl-2-[(2R)-1-(4-chloro-3-fluoro-benzyl)-3-keto-piperazin-1-ium-2-yl]acetamide Formula: C17H24ClFN3O2+ MolecularWeight: 356.842763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CC(C)(C)NC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C17H23ClFN3O2/c1-17(2,3)21-15(23)9-14-16(24)20-6-7-22(14)10-11-4-5-12(18)13(19)8-11/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,20,24)(H,21,23)/p+1/t14-/m1/s1