2-[[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]azaniumyl]ethanoate

Systemtic Name: 2-[[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl]azaniumyl]ethanoate Openeye Name: 2-[[2-(4-isopropylphenyl)-2-oxo-ethyl]ammonio]acetate CAS Name: 2-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]ammonio]acetate IUPAC Name: 2-[[2-oxo-2-(4-propan-2-ylphenyl)ethyl]azaniumyl]acetate Traditional Name: 2-[(2-keto-2-p-cumenyl-ethyl)ammonio]acetate Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C[NH2+]CC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C[NH2+]CC(=O)[O-]

InChI

InChI=1S/C13H17NO3/c1-9(2)10-3-5-11(6-4-10)12(15)7-14-8-13(16)17/h3-6,9,14H,7-8H2,1-2H3,(H,16,17)