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

Systemtic Name: 3-[3-(2-carboxyethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-1,2-dihydrobenzimidazol-1-ium-1-yl]propionic acid Formula: C13H17N2O4+ MolecularWeight: 265.28508

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH+](C2=CC=CC=C2N1CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1[NH+](C2=CC=CC=C2N1CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H16N2O4/c16-12(17)5-7-14-9-15(8-6-13(18)19)11-4-2-1-3-10(11)14/h1-4H,5-9H2,(H,16,17)(H,18,19)/p+1