2-[[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-methyl-ammonio]acetate Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-14(8-13(16)17)7-10(15)9-4-5-11(18-2)12(6-9)19-3/h4-6H,7-8H2,1-3H3,(H,16,17)