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

Systemtic Name: 2-[2-hexadecyl-1-(1-hydroxyethyl)imidazol-1-ium-1-yl]ethanoic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: 2-[2-hexadecyl-1-(1-hydroxyethyl)imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate CAS Name: 2-[2-hexadecyl-1-(1-hydroxyethyl)-1-imidazol-1-iumyl]acetic acid; 2-(trimethylammonio)acetate IUPAC Name: 2-[2-hexadecyl-1-(1-hydroxyethyl)imidazol-1-ium-1-yl]acetic acid; 2-(trimethylazaniumyl)acetate Traditional Name: 2-[2-cetyl-1-(1-hydroxyethyl)imidazol-1-ium-1-yl]acetic acid; 2-(trimethylammonio)acetate Formula: C28H54N3O5+ MolecularWeight: 512.74546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=NC=C[N+]1(CC(=O)O)C(C)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C23H42N2O3.C5H11NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-18-19-25(22,21(2)26)20-23(27)28;1-6(2,3)4-5(7)8/h18-19,21,26H,3-17,20H2,1-2H3;4H2,1-3H3/p+1