5-[[4-(azaniumylmethyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylate

Systemtic Name: 5-[[4-(azaniumylmethyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylate Openeye Name: 5-[[4-(azaniumylmethyl)-2-methoxy-phenoxy]methyl]furan-2-carboxylate CAS Name: 5-[[4-(ammoniomethyl)-2-methoxyphenoxy]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-(azaniumylmethyl)-2-methoxyphenoxy]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(ammoniomethyl)-2-methoxy-phenoxy]methyl]-2-furoate Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH3+])OCC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH3+])OCC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C14H15NO5/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-6H,7-8,15H2,1H3,(H,16,17)