7-oxidanyl-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-phenoxy-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-phenoxy-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C22H21F3NO4+ MolecularWeight: 420.40165

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C22H20F3NO4/c23-22(24,25)21-20(29-14-7-3-1-4-8-14)18(28)15-9-10-17(27)16(19(15)30-21)13-26-11-5-2-6-12-26/h1,3-4,7-10,27H,2,5-6,11-13H2/p+1