3-[3-(carboxymethyl)-2-dodecyl-4,5-dihydroimidazol-3-ium-1-yl]-2-methoxy-propanoic acid

Systemtic Name: 3-[3-(carboxymethyl)-2-dodecyl-4,5-dihydroimidazol-3-ium-1-yl]-2-methoxy-propanoic acid Openeye Name: 3-[3-(carboxymethyl)-2-dodecyl-4,5-dihydroimidazol-3-ium-1-yl]-2-methoxy-propanoic acid CAS Name: 3-[3-(carboxymethyl)-2-dodecyl-4,5-dihydroimidazol-3-ium-1-yl]-2-methoxypropanoic acid IUPAC Name: 3-[3-(carboxymethyl)-2-dodecyl-4,5-dihydroimidazol-3-ium-1-yl]-2-methoxypropanoic acid Traditional Name: 3-[3-(carboxymethyl)-2-lauryl-2-imidazolin-3-ium-1-yl]-2-methoxy-propionic acid Formula: C21H39N2O5+ MolecularWeight: 399.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=[N+](CCN1CC(C(=O)O)OC)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=[N+](CCN1CC(C(=O)O)OC)CC(=O)O

InChI

InChI=1S/C21H38N2O5/c1-3-4-5-6-7-8-9-10-11-12-13-19-22(16-18(28-2)21(26)27)14-15-23(19)17-20(24)25/h18H,3-17H2,1-2H3,(H-,24,25,26,27)/p+1