N-(4-bromophenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(2S)-3-ketopiperazin-1-ium-2-yl]acetamide Formula: C12H15BrN3O2+ MolecularWeight: 313.1704

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

C1CNC(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H14BrN3O2/c13-8-1-3-9(4-2-8)16-11(17)7-10-12(18)15-6-5-14-10/h1-4,10,14H,5-7H2,(H,15,18)(H,16,17)/p+1/t10-/m0/s1