2-[2-[(E)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-[(E)-2-(3-ethoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(E)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[2-[(E)-2-(3-ethoxy-4-hydroxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[2-[(E)-2-(3-ethoxy-4-hydroxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetate Formula: C17H17NO4 MolecularWeight: 299.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=CC=CC=[N+]2CC(=O)[O-])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2CC(=O)[O-])O

InChI

InChI=1S/C17H17NO4/c1-2-22-16-11-13(7-9-15(16)19)6-8-14-5-3-4-10-18(14)12-17(20)21/h3-11H,2,12H2,1H3,(H,20,21)