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

Systemtic Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-1-imidazol-3-iumyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)imidazol-3-ium-1-yl]propionic acid Formula: C9H13N2O4+ MolecularWeight: 213.21052

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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)/p+1