2-[[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[2-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[2-(2-ethoxyphenyl)-2-oxo-ethyl]-methyl-ammonio]acetate CAS Name: 2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylammonio]acetate IUPAC Name: 2-[[2-(2-ethoxyphenyl)-2-oxoethyl]-methylazaniumyl]acetate Traditional Name: 2-[(2-keto-2-o-phenetyl-ethyl)-methyl-ammonio]acetate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)C[NH+](C)CC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)C[NH+](C)CC(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-3-18-12-7-5-4-6-10(12)11(15)8-14(2)9-13(16)17/h4-7H,3,8-9H2,1-2H3,(H,16,17)