1-octadecyl-4,5-dihydro-1H-imidazol-1-ium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: 1-octadecyl-4,5-dihydro-1H-imidazol-1-ium; 2-(trimethylazaniumyl)ethanoate Openeye Name: 1-octadecyl-4,5-dihydro-1H-imidazol-1-ium; 2-(trimethylammonio)acetate CAS Name: 1-octadecyl-4,5-dihydro-1H-imidazol-1-ium; 2-(trimethylammonio)acetate IUPAC Name: 1-octadecyl-4,5-dihydro-1H-imidazol-1-ium; 2-(trimethylazaniumyl)acetate Traditional Name: 1-stearyl-2-imidazolin-1-ium; 2-(trimethylammonio)acetate Formula: C26H54N3O2+ MolecularWeight: 440.72586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+]1CCN=C1.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+]1CCN=C1.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C21H42N2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;1-6(2,3)4-5(7)8/h21H,2-20H2,1H3;4H2,1-3H3/p+1