5-fluoranyl-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-fluoranyl-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 5-fluoro-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]benzofuran-2-carboxamide CAS Name: 5-fluoro-3-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 5-fluoro-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 5-fluoro-3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]coumarilamide Formula: C21H23FN3O2+ MolecularWeight: 368.424623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)F)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)C

InChI

InChI=1S/C21H22FN3O2/c1-14-16-13-15(22)7-8-19(16)27-20(14)21(26)23-17-5-3-4-6-18(17)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3,(H,23,26)/p+1