(2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-(3-oxo-1-piperazin-1-iumyl)propanoate IUPAC Name: (2S)-2-(3-oxopiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-(3-ketopiperazin-1-ium-1-yl)propionate Formula: C7H12N2O3 MolecularWeight: 172.18178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O3/c1-5(7(11)12)9-3-2-8-6(10)4-9/h5H,2-4H2,1H3,(H,8,10)(H,11,12)/t5-/m0/s1