N-(3-azanyl-4-fluoranyl-phenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide

Systemtic Name: N-(3-azanyl-4-fluoranyl-phenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide Openeye Name: N-(3-amino-4-fluoro-phenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide CAS Name: N-(3-amino-4-fluorophenyl)-4-(3-oxo-1-piperazin-1-iumyl)butanamide IUPAC Name: N-(3-amino-4-fluorophenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide Traditional Name: N-(3-amino-4-fluoro-phenyl)-4-(3-ketopiperazin-1-ium-1-yl)butyramide Formula: C14H20FN4O2+ MolecularWeight: 295.332603

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCCC(=O)NC2=CC(=C(C=C2)F)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCCC(=O)NC2=CC(=C(C=C2)F)N

InChI

InChI=1S/C14H19FN4O2/c15-11-4-3-10(8-12(11)16)18-13(20)2-1-6-19-7-5-17-14(21)9-19/h3-4,8H,1-2,5-7,9,16H2,(H,17,21)(H,18,20)/p+1