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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)C#N)F

InChI

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