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

Systemtic Name: 4-[[2-[(E)-2-(2-fluorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[2-[(E)-2-(2-fluorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[2-[(E)-2-(2-fluorophenyl)ethenyl]-1-pyridin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[2-[(E)-2-(2-fluorophenyl)ethenyl]pyridin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(E)-2-(2-fluorophenyl)vinyl]pyridin-1-ium-1-yl]methyl]benzoate Formula: C21H16FNO2 MolecularWeight: 333.355643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FNO2/c22-20-7-2-1-5-17(20)12-13-19-6-3-4-14-23(19)15-16-8-10-18(11-9-16)21(24)25/h1-14H,15H2/b13-12+