3-[bis(2-methylpropyl)azaniumyl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[bis(2-methylpropyl)azaniumyl]-2,2-dimethyl-propanoate Openeye Name: 3-(diisobutylammonio)-2,2-dimethyl-propanoate CAS Name: 3-[bis(2-methylpropyl)ammonio]-2,2-dimethylpropanoate IUPAC Name: 3-[bis(2-methylpropyl)azaniumyl]-2,2-dimethylpropanoate Traditional Name: 3-(diisobutylammonio)-2,2-dimethyl-propionate Formula: C13H27NO2 MolecularWeight: 229.35898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC(C)C[NH+](CC(C)C)CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C13H27NO2/c1-10(2)7-14(8-11(3)4)9-13(5,6)12(15)16/h10-11H,7-9H2,1-6H3,(H,15,16)