N-(3-cyanophenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide

Systemtic Name: N-(3-cyanophenyl)-4-(3-oxidanylidenepiperazin-1-ium-1-yl)butanamide Openeye Name: N-(3-cyanophenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide CAS Name: N-(3-cyanophenyl)-4-(3-oxo-1-piperazin-1-iumyl)butanamide IUPAC Name: N-(3-cyanophenyl)-4-(3-oxopiperazin-1-ium-1-yl)butanamide Traditional Name: N-(3-cyanophenyl)-4-(3-ketopiperazin-1-ium-1-yl)butyramide Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2/c16-10-12-3-1-4-13(9-12)18-14(20)5-2-7-19-8-6-17-15(21)11-19/h1,3-4,9H,2,5-8,11H2,(H,17,21)(H,18,20)/p+1