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

Systemtic Name: 5-bromanyl-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Openeye Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzoate CAS Name: 5-bromo-2-[2-(4-morpholin-4-iumyl)ethoxy]benzoate IUPAC Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Traditional Name: 5-bromo-2-(2-morpholin-4-ium-4-ylethoxy)benzoate Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c14-10-1-2-12(11(9-10)13(16)17)19-8-5-15-3-6-18-7-4-15/h1-2,9H,3-8H2,(H,16,17)