5-bromanyl-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)benzoate

Systemtic Name: 5-bromanyl-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Openeye Name: 5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)benzoate CAS Name: 5-bromo-3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]benzoate IUPAC Name: 5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Traditional Name: 5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Formula: C14H18BrNO5 MolecularWeight: 360.20042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(=O)[O-])OCC[NH+]2CCOCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C(=O)[O-])OCC[NH+]2CCOCC2

InChI

InChI=1S/C14H18BrNO5/c1-19-12-9-10(15)8-11(14(17)18)13(12)21-7-4-16-2-5-20-6-3-16/h8-9H,2-7H2,1H3,(H,17,18)