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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C=CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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