5-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-24-18-14-15(9-11-17(18)21)8-10-16-6-2-4-12-20(16)13-5-3-7-19(22)23/h2,4,6,8-12,14H,3,5,7,13H2,1H3,(H,22,23)