2-[1-(1-hydroxyethyl)-2-undecyl-imidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 2-[1-(1-hydroxyethyl)-2-undecyl-imidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[1-(1-hydroxyethyl)-2-undecyl-imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-[1-(1-hydroxyethyl)-2-undecyl-1-imidazol-1-iumyl]acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[1-(1-hydroxyethyl)-2-undecylimidazol-1-ium-1-yl]acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[1-(1-hydroxyethyl)-2-undecyl-imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate Formula: C23H44N3O5+ MolecularWeight: 442.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C18H32N2O3.C5H11NO2/c1-3-4-5-6-7-8-9-10-11-12-17-19-13-14-20(17,16(2)21)15-18(22)23;1-6(2,3)4-5(7)8/h13-14,16,21H,3-12,15H2,1-2H3;4H2,1-3H3/p+1