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

Systemtic Name: 7-oxidanyl-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one CAS Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 7-hydroxy-3-(4-phenylphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromone Formula: C28H25F3NO4+ MolecularWeight: 496.49761

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C28H24F3NO4/c29-28(30,31)27-26(35-20-11-9-19(10-12-20)18-7-3-1-4-8-18)24(34)21-13-14-23(33)22(25(21)36-27)17-32-15-5-2-6-16-32/h1,3-4,7-14,33H,2,5-6,15-17H2/p+1