(E)-3-[5-bromanyl-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-3-methoxy-2-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-3-methoxy-2-(2-morpholin-4-ium-4-ylethoxy)phenyl]acrylate Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5/c1-21-14-11-13(17)10-12(2-3-15(19)20)16(14)23-9-6-18-4-7-22-8-5-18/h2-3,10-11H,4-9H2,1H3,(H,19,20)/b3-2+