(2R)-N-(4-fluorophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2R)-N-(4-fluorophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2R)-N-(4-fluorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2R)-N-(4-fluorophenyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2R)-N-(4-fluorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2R)-N-(4-fluorophenyl)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C18H19FN3O2+ MolecularWeight: 328.360763

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)[C@H](C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN3O2/c19-14-6-8-15(9-7-14)21-18(24)17(13-4-2-1-3-5-13)22-11-10-20-16(23)12-22/h1-9,17H,10-12H2,(H,20,23)(H,21,24)/p+1/t17-/m1/s1