2-(trimethylazaniumyl)ethanoate; 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(trimethylazaniumyl)ethanoate; 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(trimethylammonio)acetate; 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)acetic acid CAS Name: 2-(trimethylammonio)acetate; 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)acetic acid IUPAC Name: 2-(trimethylazaniumyl)acetate; 2-(1-undecyl-4,5-dihydroimidazol-1-ium-1-yl)acetic acid Traditional Name: 2-(trimethylammonio)acetate; 2-(1-undecyl-2-imidazolin-1-ium-1-yl)acetic acid Formula: C21H42N3O4+ MolecularWeight: 400.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30N2O2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-12-18(14-16(19)20)13-11-17-15-18;1-6(2,3)4-5(7)8/h15H,2-14H2,1H3;4H2,1-3H3/p+1