2-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetic acid Formula: C16H16NO4+ MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=CC=[N+]2CC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC=CC=[N+]2CC(=O)O)O

InChI

InChI=1S/C16H15NO4/c1-21-15-10-12(6-8-14(15)18)5-7-13-4-2-3-9-17(13)11-16(19)20/h2-10H,11H2,1H3,(H,19,20)/p+1