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

Systemtic Name: 5-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-25-18-14-16(15-19(26-2)21(18)27-3)10-11-17-8-4-6-12-22(17)13-7-5-9-20(23)24/h4,6,8,10-12,14-15H,5,7,9,13H2,1-3H3/b11-10+