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

Systemtic Name: N-(2-bromophenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-bromophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-bromophenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-bromophenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-bromophenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C12H15BrN3O2+ MolecularWeight: 313.1704

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2Br

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)NC2=CC=CC=C2Br

InChI

InChI=1S/C12H14BrN3O2/c13-9-3-1-2-4-10(9)15-12(18)8-16-6-5-14-11(17)7-16/h1-4H,5-8H2,(H,14,17)(H,15,18)/p+1