1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: 1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Openeye Name: 1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride CAS Name: 1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Traditional Name: 1-[2-[3,3-bis(4-fluorophenyl)propoxy]ethyl]piperidin-1-ium-3-carboxylic acid chloride Formula: C23H28ClF2NO3 MolecularWeight: 439.923126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCOCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)O.[Cl-]

Isomeric SMILES

C1CC(C[NH+](C1)CCOCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)O.[Cl-]

InChI

InChI=1S/C23H27F2NO3.ClH/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)11-14-29-15-13-26-12-1-2-19(16-26)23(27)28;/h3-10,19,22H,1-2,11-16H2,(H,27,28);1H