2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-(4-methoxyphenyl)-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-(4-methoxyphenyl)-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[[2-keto-2-(4-methoxyphenyl)ethyl]-methyl-ammonio]acetate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-13(8-12(15)16)7-11(14)9-3-5-10(17-2)6-4-9/h3-6H,7-8H2,1-2H3,(H,15,16)