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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CCC(=O)[O-]

Isomeric SMILES

C1C[NH+](CC(=O)N1)CCC(=O)[O-]

InChI

InChI=1S/C7H12N2O3/c10-6-5-9(4-2-8-6)3-1-7(11)12/h1-5H2,(H,8,10)(H,11,12)