(2S)-2-[methyl(propan-2-yl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[methyl(propan-2-yl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[isopropyl(methyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[methyl(propan-2-yl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[methyl(propan-2-yl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[isopropyl(methyl)ammonio]-2-phenyl-acetate Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9(2)13(3)11(12(14)15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,15)/t11-/m0/s1