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

Systemtic Name: 2-[4-[(Z)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[4-[(Z)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]acetate Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=CC=[N+](C=C2)CC(=O)[O-])O

Isomeric SMILES

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

InChI

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