3-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(3-ethoxyphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(3-ethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-m-phenetylvinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C23H21NO3 MolecularWeight: 359.41774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H21NO3/c1-2-27-22-11-6-7-18(16-22)12-13-21-10-3-4-14-24(21)17-19-8-5-9-20(15-19)23(25)26/h3-16H,2,17H2,1H3/b13-12+