2-[1-[2-(carboxymethyloxy)ethyl]-2-heptan-3-yl-4,5-dihydroimidazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(carboxymethyloxy)ethyl]-2-heptan-3-yl-4,5-dihydroimidazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[2-(carboxymethyloxy)ethyl]-2-(1-ethylpentyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(carboxymethyloxy)ethyl]-2-heptan-3-yl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-[2-(carboxymethyloxy)ethyl]-2-heptan-3-yl-4,5-dihydroimidazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[2-(carboxymethyloxy)ethyl]-2-(1-ethylpentyl)-2-imidazolin-1-ium-1-yl]acetic acid Formula: C16H29N2O5+ MolecularWeight: 329.41186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NCC[N+]1(CCOCC(=O)O)CC(=O)O

Isomeric SMILES

CCCCC(CC)C1=NCC[N+]1(CCOCC(=O)O)CC(=O)O

InChI

InChI=1S/C16H28N2O5/c1-3-5-6-13(4-2)16-17-7-8-18(16,11-14(19)20)9-10-23-12-15(21)22/h13H,3-12H2,1-2H3,(H-,19,20,21,22)/p+1