2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]acetate Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=[N+]2CC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C2=CC=CC=[N+]2CC(=O)[O-]

InChI

InChI=1S/C18H19NO5/c1-22-15-10-13(11-16(23-2)18(15)24-3)7-8-14-6-4-5-9-19(14)12-17(20)21/h4-11H,12H2,1-3H3/b8-7+