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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]coumarilamide Formula: C26H25FN3O2+ MolecularWeight: 430.494003

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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=CC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C26H24FN3O2/c27-23-7-3-1-6-20(23)18-29-13-15-30(16-14-29)22-11-9-21(10-12-22)28-26(31)25-17-19-5-2-4-8-24(19)32-25/h1-12,17H,13-16,18H2,(H,28,31)/p+1