3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]propanoate

Systemtic Name: 3-[[3-(4-methoxyphenyl)-3-oxidanylidene-propyl]azaniumyl]propanoate Openeye Name: 3-[[3-(4-methoxyphenyl)-3-oxo-propyl]ammonio]propanoate CAS Name: 3-[[3-(4-methoxyphenyl)-3-oxopropyl]ammonio]propanoate IUPAC Name: 3-[[3-(4-methoxyphenyl)-3-oxopropyl]azaniumyl]propanoate Traditional Name: 3-[[3-keto-3-(4-methoxyphenyl)propyl]ammonio]propionate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-18-11-4-2-10(3-5-11)12(15)6-8-14-9-7-13(16)17/h2-5,14H,6-9H2,1H3,(H,16,17)