(2S)-2-(2,2-dimethyl-3-oxidanylidene-piperazin-1-ium-1-yl)propanoate

Systemtic Name: (2S)-2-(2,2-dimethyl-3-oxidanylidene-piperazin-1-ium-1-yl)propanoate Openeye Name: (2S)-2-(2,2-dimethyl-3-oxo-piperazin-1-ium-1-yl)propanoate CAS Name: (2S)-2-(2,2-dimethyl-3-oxo-1-piperazin-1-iumyl)propanoate IUPAC Name: (2S)-2-(2,2-dimethyl-3-oxopiperazin-1-ium-1-yl)propanoate Traditional Name: (2S)-2-(3-keto-2,2-dimethyl-piperazin-1-ium-1-yl)propionate Formula: C9H16N2O3 MolecularWeight: 200.23494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O3/c1-6(7(12)13)11-5-4-10-8(14)9(11,2)3/h6H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1