3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Openeye Name: 3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate CAS Name: 3-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Traditional Name: 3-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzoate Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H21NO4/c1-19-14-11-12(15(17)18)5-6-13(14)20-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)