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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-iodanyl-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-iodo-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-iodobenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-iodobenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2-iodo-benzamide Formula: C24H24FIN3O+ MolecularWeight: 516.369733

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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=C4I

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C24H23FIN3O/c25-22-7-3-1-5-18(22)17-28-13-15-29(16-14-28)20-11-9-19(10-12-20)27-24(30)21-6-2-4-8-23(21)26/h1-12H,13-17H2,(H,27,30)/p+1