(2S)-N-(methylcarbamoyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(methylcarbamoyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(methylcarbamoyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCNC(=O)C2

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C14H18N4O3/c1-15-14(21)17-13(20)12(10-5-3-2-4-6-10)18-8-7-16-11(19)9-18/h2-6,12H,7-9H2,1H3,(H,16,19)(H2,15,17,20,21)/p+1/t12-/m0/s1