3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: 3-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: 3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propionamide Formula: C27H27F2N4O+ MolecularWeight: 461.526286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC=CC=C2C#N)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26F2N4O/c28-23-9-5-20(6-10-23)27(21-7-11-24(29)12-8-21)33-17-15-32(16-18-33)14-13-26(34)31-25-4-2-1-3-22(25)19-30/h1-12,27H,13-18H2,(H,31,34)/p+1