2-[1-(1-hydroxyethyl)-2-octadecyl-imidazol-1-ium-1-yl]propanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[1-(1-hydroxyethyl)-2-octadecyl-imidazol-1-ium-1-yl]propanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[1-(1-hydroxyethyl)-2-octadecyl-imidazol-1-ium-1-yl]propanoic acid; 2-(trimethylammonio)acetate CAS Name: 2-[1-(1-hydroxyethyl)-2-octadecyl-1-imidazol-1-iumyl]propanoic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[1-(1-hydroxyethyl)-2-octadecylimidazol-1-ium-1-yl]propanoic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[1-(1-hydroxyethyl)-2-stearyl-imidazol-1-ium-1-yl]propionic acid; 2-(trimethylammonio)acetate Formula: C31H60N3O5+ MolecularWeight: 554.8252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=NC=C[N+]1(C(C)C(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=NC=C[N+]1(C(C)C(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C26H48N2O3.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-27-21-22-28(25,24(3)29)23(2)26(30)31;1-6(2,3)4-5(7)8/h21-24,29H,4-20H2,1-3H3;4H2,1-3H3/p+1