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

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-[(2S)-2-phenylpropyl]acetamide Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-12(13-5-3-2-4-6-13)9-17-15(20)11-18-8-7-16-14(19)10-18/h2-6,12H,7-11H2,1H3,(H,16,19)(H,17,20)/p+1/t12-/m1/s1