(2S)-3-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)butanoate

Systemtic Name: (2S)-3-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)butanoate Openeye Name: (2S)-3-methyl-2-(3-oxopiperazin-1-ium-1-yl)butanoate CAS Name: (2S)-3-methyl-2-(3-oxo-1-piperazin-1-iumyl)butanoate IUPAC Name: (2S)-3-methyl-2-(3-oxopiperazin-1-ium-1-yl)butanoate Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)-3-methyl-butyrate Formula: C9H16N2O3 MolecularWeight: 200.23494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3/c1-6(2)8(9(13)14)11-4-3-10-7(12)5-11/h6,8H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t8-/m0/s1