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

Systemtic Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]coumarilamide Formula: C22H23F3N3O2+ MolecularWeight: 418.43213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H22F3N3O2/c1-14-16-5-3-4-6-19(16)30-20(14)21(29)26-17-13-15(22(23,24)25)7-8-18(17)28-11-9-27(2)10-12-28/h3-8,13H,9-12H2,1-2H3,(H,26,29)/p+1