2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-(2-hexadecyl-4,5-dihydroimidazol-1-yl)acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-(2-cetyl-2-imidazolin-1-yl)acetic acid; 2-(trimethylammonio)acetate Formula: C26H51N3O4 MolecularWeight: 469.70084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NCCN1CC(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NCCN1CC(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C21H40N2O2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-22-17-18-23(20)19-21(24)25;1-6(2,3)4-5(7)8/h2-19H2,1H3,(H,24,25);4H2,1-3H3