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

Systemtic Name: 2-bromanyl-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: 2-bromo-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide CAS Name: 2-bromo-N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: 2-bromo-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzamide Traditional Name: 2-bromo-N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]benzamide Formula: C24H24BrFN3O+ MolecularWeight: 469.369263

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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=C4Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H23BrFN3O/c25-22-7-3-2-6-21(22)24(30)27-19-9-11-20(12-10-19)29-15-13-28(14-16-29)17-18-5-1-4-8-23(18)26/h1-12H,13-17H2,(H,27,30)/p+1