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

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-(3-oxo-1-piperazin-1-iumyl)-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-(3-ketopiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C15H21N4O3+ MolecularWeight: 305.35224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3/c1-2-16-15(22)18-14(21)13(11-6-4-3-5-7-11)19-9-8-17-12(20)10-19/h3-7,13H,2,8-10H2,1H3,(H,17,20)(H2,16,18,21,22)/p+1/t13-/m0/s1