3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoate

Systemtic Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoate Openeye Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoate CAS Name: 3-[3-(2-carboxyethyl)-1-imidazol-3-iumyl]propanoate IUPAC Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoate Traditional Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propionate Formula: C9H12N2O4 MolecularWeight: 212.20258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CN1CCC(=O)[O-])CCC(=O)O

Isomeric SMILES

C1=C[N+](=CN1CCC(=O)[O-])CCC(=O)O

InChI

InChI=1S/C9H12N2O4/c12-8(13)1-3-10-5-6-11(7-10)4-2-9(14)15/h5-7H,1-4H2,(H-,12,13,14,15)