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

Systemtic Name: 2-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]ethanoate Openeye Name: 2-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]acetate CAS Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]acetate IUPAC Name: 2-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]acetate Traditional Name: 2-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]acetate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CC[NH2+]CC(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-17-10-4-2-9(3-5-10)11(14)6-7-13-8-12(15)16/h2-5,13H,6-8H2,1H3,(H,15,16)