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

Systemtic Name: 5-bromanyl-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide CAS Name: 5-bromo-N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2-furamide Formula: C22H22BrFN3O2+ MolecularWeight: 459.331383

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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=C(O4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C22H21BrFN3O2/c23-21-10-9-20(29-21)22(28)25-17-5-7-18(8-6-17)27-13-11-26(12-14-27)15-16-3-1-2-4-19(16)24/h1-10H,11-15H2,(H,25,28)/p+1