5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzoate

Systemtic Name: 5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzoate Openeye Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzoate CAS Name: 5-bromo-3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]benzoate IUPAC Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzoate Traditional Name: 5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)benzoate Formula: C15H20BrNO4 MolecularWeight: 358.2276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-20-13-10-11(16)9-12(15(18)19)14(13)21-8-7-17-5-3-2-4-6-17/h9-10H,2-8H2,1H3,(H,18,19)