2-[dimethyl(tridecyl)azaniumyl]-2-methyl-propanoate; ethanoic acid

Systemtic Name: 2-[dimethyl(tridecyl)azaniumyl]-2-methyl-propanoate; ethanoic acid Openeye Name: acetic acid; 2-[dimethyl(tridecyl)ammonio]-2-methyl-propanoate CAS Name: acetic acid; 2-[dimethyl(tridecyl)ammonio]-2-methylpropanoate IUPAC Name: acetic acid; 2-[dimethyl(tridecyl)azaniumyl]-2-methylpropanoate Traditional Name: acetic acid; 2-[dimethyl(tridecyl)ammonio]-2-methyl-propionate Formula: C21H43NO4 MolecularWeight: 373.57042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H39NO2.C2H4O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-20(4,5)19(2,3)18(21)22;1-2(3)4/h6-17H2,1-5H3;1H3,(H,3,4)