3-[[2-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 3-[[2-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(4-ethylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(4-ethylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-(4-ethylphenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C23H21NO2 MolecularWeight: 343.41834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C23H21NO2/c1-2-18-9-11-19(12-10-18)13-14-22-8-3-4-15-24(22)17-20-6-5-7-21(16-20)23(25)26/h3-16H,2,17H2,1H3/b14-13+