2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-[1-(carboxymethyloxy)ethyl]-2-undecyl-2-imidazolin-1-ium-1-yl]propionic acid Formula: C21H39N2O5+ MolecularWeight: 399.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NCC[N+]1(C(C)C(=O)O)C(C)OCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC1=NCC[N+]1(C(C)C(=O)O)C(C)OCC(=O)O

InChI

InChI=1S/C21H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-19-22-14-15-23(19,17(2)21(26)27)18(3)28-16-20(24)25/h17-18H,4-16H2,1-3H3,(H-,24,25,26,27)/p+1