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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide Traditional Name: 2-keto-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]chromene-3-carboxamide Formula: C22H21F3N3O3+ MolecularWeight: 432.41565

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H20F3N3O3/c1-27-8-10-28(11-9-27)18-7-6-15(22(23,24)25)13-17(18)26-20(29)16-12-14-4-2-3-5-19(14)31-21(16)30/h2-7,12-13H,8-11H2,1H3,(H,26,29)/p+1