4-cyano-2-fluoranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 4-cyano-2-fluoranyl-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 4-cyano-2-fluoro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: 4-cyano-2-fluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: 4-cyano-2-fluoro-N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Traditional Name: 4-cyano-2-fluoro-N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C25H23F2N4O+ MolecularWeight: 433.473126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H22F2N4O/c26-20-4-1-18(2-5-20)17-30-11-13-31(14-12-30)22-8-6-21(7-9-22)29-25(32)23-10-3-19(16-28)15-24(23)27/h1-10,15H,11-14,17H2,(H,29,32)/p+1