acetyloxy-dodecyl-dimethyl-azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: acetyloxy-dodecyl-dimethyl-azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: acetoxy-dodecyl-dimethyl-ammonium; 2-(trimethylammonio)acetate CAS Name: acetyloxy-dodecyl-dimethylammonium; 2-(trimethylammonio)acetate IUPAC Name: acetyloxy-dodecyl-dimethylazanium; 2-(trimethylazaniumyl)acetate Traditional Name: acetoxy-lauryl-dimethyl-ammonium; 2-(trimethylammonio)acetate Formula: C21H45N2O4+ MolecularWeight: 389.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)OC(=O)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)OC(=O)C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C16H34NO2.C5H11NO2/c1-5-6-7-8-9-10-11-12-13-14-15-17(3,4)19-16(2)18;1-6(2,3)4-5(7)8/h5-15H2,1-4H3;4H2,1-3H3/q+1;