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

Systemtic Name: 3-fluoranyl-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 3-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: 3-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: 3-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Traditional Name: 3-fluoro-N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C24H24F2N3O+ MolecularWeight: 408.463666

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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=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C24H23F2N3O/c25-20-6-3-5-18(16-20)24(30)27-21-8-10-22(11-9-21)29-14-12-28(13-15-29)17-19-4-1-2-7-23(19)26/h1-11,16H,12-15,17H2,(H,27,30)/p+1