(2S)-2-[butyl(ethyl)azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[butyl(ethyl)azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[butyl(ethyl)ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[butyl(ethyl)ammonio]-2-phenylacetate IUPAC Name: (2S)-2-[butyl(ethyl)azaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[butyl(ethyl)ammonio]-2-phenyl-acetate Formula: C14H21NO2 MolecularWeight: 235.32204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2/c1-3-5-11-15(4-2)13(14(16)17)12-9-7-6-8-10-12/h6-10,13H,3-5,11H2,1-2H3,(H,16,17)/t13-/m0/s1