1-[2-[(E)-2-(2-fluorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride

Systemtic Name: 1-[2-[(E)-2-(2-fluorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride Openeye Name: 1-[2-[(E)-2-(2-fluorophenyl)-2-(o-tolyl)vinyloxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride CAS Name: 1-[2-[(E)-2-(2-fluorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride IUPAC Name: 1-[2-[(E)-2-(2-fluorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride Traditional Name: 1-[2-[(E)-2-(2-fluorophenyl)-2-(o-tolyl)vinyloxy]ethyl]-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid chloride Formula: C23H25ClFNO3 MolecularWeight: 417.900903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=COCC[NH+]2CCC=C(C2)C(=O)O)C3=CC=CC=C3F.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1/C(=C\OCC[NH+]2CCC=C(C2)C(=O)O)/C3=CC=CC=C3F.[Cl-]

InChI

InChI=1S/C23H24FNO3.ClH/c1-17-7-2-3-9-19(17)21(20-10-4-5-11-22(20)24)16-28-14-13-25-12-6-8-18(15-25)23(26)27;/h2-5,7-11,16H,6,12-15H2,1H3,(H,26,27);1H/b21-16+;