2-[2-heptadecyl-1-(1-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[2-heptadecyl-1-(1-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[2-heptadecyl-1-(1-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-[2-heptadecyl-1-(1-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[2-heptadecyl-1-(1-hydroxyethyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[2-heptadecyl-1-(1-hydroxyethyl)-2-imidazolin-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate Formula: C29H58N3O5+ MolecularWeight: 528.78792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C24H46N2O3.C5H11NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-19-20-26(23,22(2)27)21-24(28)29;1-6(2,3)4-5(7)8/h22,27H,3-21H2,1-2H3;4H2,1-3H3/p+1