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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NCC[N+]1(CC(=O)O)C(C)OCC(=O)O

Isomeric SMILES

CCCCCCCC1=NCC[N+]1(CC(=O)O)C(C)OCC(=O)O

InChI

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