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

Systemtic Name: 2-[1-(1-hydroxyethyl)-2-octyl-imidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[1-(1-hydroxyethyl)-2-octyl-imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-[1-(1-hydroxyethyl)-2-octyl-1-imidazol-1-iumyl]acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[1-(1-hydroxyethyl)-2-octylimidazol-1-ium-1-yl]acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[1-(1-hydroxyethyl)-2-octyl-imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate Formula: C20H38N3O5+ MolecularWeight: 400.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C15H26N2O3.C5H11NO2/c1-3-4-5-6-7-8-9-14-16-10-11-17(14,13(2)18)12-15(19)20;1-6(2,3)4-5(7)8/h10-11,13,18H,3-9,12H2,1-2H3;4H2,1-3H3/p+1