(2S)-2-(dimethylazaniumyl)-2-(4-propan-2-ylphenyl)ethanoate

Systemtic Name: (2S)-2-(dimethylazaniumyl)-2-(4-propan-2-ylphenyl)ethanoate Openeye Name: (2S)-2-(dimethylammonio)-2-(4-isopropylphenyl)acetate CAS Name: (2S)-2-(dimethylammonio)-2-(4-propan-2-ylphenyl)acetate IUPAC Name: (2S)-2-(dimethylazaniumyl)-2-(4-propan-2-ylphenyl)acetate Traditional Name: (2S)-2-(dimethylammonio)-2-p-cumenyl-acetate Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(=O)[O-])[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH+](C)C

InChI

InChI=1S/C13H19NO2/c1-9(2)10-5-7-11(8-6-10)12(13(15)16)14(3)4/h5-9,12H,1-4H3,(H,15,16)/t12-/m0/s1