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

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCNC(=O)C1)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCNC(=O)C1)C2=CC=CC=C2

InChI

InChI=1S/C16H23N3O2/c1-2-13(14-6-4-3-5-7-14)10-18-16(21)12-19-9-8-17-15(20)11-19/h3-7,13H,2,8-12H2,1H3,(H,17,20)(H,18,21)/p+1/t13-/m1/s1