N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C13H16N3O4+ MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O4/c17-12-6-16(4-3-14-12)7-13(18)15-9-1-2-10-11(5-9)20-8-19-10/h1-2,5H,3-4,6-8H2,(H,14,17)(H,15,18)/p+1