4-(2-azaniumylethoxy)-3-methoxy-benzoate

Systemtic Name: 4-(2-azaniumylethoxy)-3-methoxy-benzoate Openeye Name: 4-(2-azaniumylethoxy)-3-methoxy-benzoate CAS Name: 4-(2-ammonioethoxy)-3-methoxybenzoate IUPAC Name: 4-(2-azaniumylethoxy)-3-methoxybenzoate Traditional Name: 4-(2-ammonioethoxy)-3-methoxy-benzoate Formula: C10H13NO4 MolecularWeight: 211.21452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO4/c1-14-9-6-7(10(12)13)2-3-8(9)15-5-4-11/h2-3,6H,4-5,11H2,1H3,(H,12,13)