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

Systemtic Name: 3-[[2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 3-[[2-[(E)-2-(p-tolyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 3-[[2-[(E)-2-(4-methylphenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 3-[[2-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 3-[[2-[(E)-2-(p-tolyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C22H19NO2 MolecularWeight: 329.39176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C2=CC=CC=[N+]2CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C22H19NO2/c1-17-8-10-18(11-9-17)12-13-21-7-2-3-14-23(21)16-19-5-4-6-20(15-19)22(24)25/h2-15H,16H2,1H3/b13-12+