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

Systemtic Name: 5-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[4-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[4-[(Z)-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=[N+](C=C2)CCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-25-18-14-17(15-19(26-2)21(18)27-3)8-7-16-9-12-22(13-10-16)11-5-4-6-20(23)24/h7-10,12-15H,4-6,11H2,1-3H3/b8-7-