(E)-3-[5-bromanyl-3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[5-bromanyl-3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=CC(=O)[O-])OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)/C=C/C(=O)[O-])OCC[NH+]2CCCC2

InChI

InChI=1S/C16H20BrNO4/c1-21-14-11-13(17)10-12(4-5-15(19)20)16(14)22-9-8-18-6-2-3-7-18/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)/b5-4+