2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]-methyl-azaniumyl]ethanoate

Systemtic Name: 2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]-methyl-azaniumyl]ethanoate Openeye Name: 2-[[3-(4-methoxyphenyl)-3-oxo-propyl]-methyl-ammonio]acetate CAS Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]-methylammonio]acetate IUPAC Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]-methylazaniumyl]acetate Traditional Name: 2-[[3-keto-3-(4-methoxyphenyl)propyl]-methyl-ammonio]acetate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-14(9-13(16)17)8-7-12(15)10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)