3-[2,4-bis(fluoranyl)phenyl]-1-butyl-piperidin-1-ium-4-carboxylic acid chloride

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-butyl-piperidin-1-ium-4-carboxylic acid chloride Openeye Name: 1-butyl-3-(2,4-difluorophenyl)piperidin-1-ium-4-carboxylic acid chloride CAS Name: 1-butyl-3-(2,4-difluorophenyl)-4-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 1-butyl-3-(2,4-difluorophenyl)piperidin-1-ium-4-carboxylic acid chloride Traditional Name: 1-butyl-3-(2,4-difluorophenyl)piperidin-1-ium-4-carboxylic acid chloride Formula: C16H22ClF2NO2 MolecularWeight: 333.801186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+]1CCC(C(C1)C2=C(C=C(C=C2)F)F)C(=O)O.[Cl-]

Isomeric SMILES

CCCC[NH+]1CCC(C(C1)C2=C(C=C(C=C2)F)F)C(=O)O.[Cl-]

InChI

InChI=1S/C16H21F2NO2.ClH/c1-2-3-7-19-8-6-13(16(20)21)14(10-19)12-5-4-11(17)9-15(12)18;/h4-5,9,13-14H,2-3,6-8,10H2,1H3,(H,20,21);1H