5-[2-[(E)-2-(2-fluorophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate

Systemtic Name: 5-[2-[(E)-2-(2-fluorophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Openeye Name: 5-[2-[(E)-2-(2-fluorophenyl)vinyl]pyridin-1-ium-1-yl]pentanoate CAS Name: 5-[2-[(E)-2-(2-fluorophenyl)ethenyl]-1-pyridin-1-iumyl]pentanoate IUPAC Name: 5-[2-[(E)-2-(2-fluorophenyl)ethenyl]pyridin-1-ium-1-yl]pentanoate Traditional Name: 5-[2-[(E)-2-(2-fluorophenyl)vinyl]pyridin-1-ium-1-yl]valerate Formula: C18H18FNO2 MolecularWeight: 299.339423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FNO2/c19-17-9-2-1-7-15(17)11-12-16-8-3-5-13-20(16)14-6-4-10-18(21)22/h1-3,5,7-9,11-13H,4,6,10,14H2/b12-11+