5-[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(3-ethoxyphenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-m-phenetylvinyl]pyridin-1-ium-1-yl]valerate Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CCCCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)/C=C/C2=CC=CC=[N+]2CCCCC(=O)[O-]

InChI

InChI=1S/C20H23NO3/c1-2-24-19-10-7-8-17(16-19)12-13-18-9-3-5-14-21(18)15-6-4-11-20(22)23/h3,5,7-10,12-14,16H,2,4,6,11,15H2,1H3/b13-12+