N-(3-aminophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-aminophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-aminophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3-aminophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-aminophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-aminophenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2/c13-9-2-1-3-10(6-9)15-12(18)8-16-5-4-14-11(17)7-16/h1-3,6H,4-5,7-8,13H2,(H,14,17)(H,15,18)/p+1