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

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzoate Openeye Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzoate CAS Name: 3-bromo-5-ethoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]benzoate IUPAC Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzoate Traditional Name: 3-bromo-5-ethoxy-4-(2-morpholin-4-ium-4-ylethoxy)benzoate Formula: C15H20BrNO5 MolecularWeight: 374.227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC[NH+]2CCOCC2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC[NH+]2CCOCC2

InChI

InChI=1S/C15H20BrNO5/c1-2-21-13-10-11(15(18)19)9-12(16)14(13)22-8-5-17-3-6-20-7-4-17/h9-10H,2-8H2,1H3,(H,18,19)