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

Systemtic Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4/c1-24-18-12-10-16(15-19(18)25-2)9-11-17-7-3-5-13-21(17)14-6-4-8-20(22)23/h3,5,7,9-13,15H,4,6,8,14H2,1-2H3/b11-9+