[3-(2-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-(2-methoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[7-hydroxy-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: [7-hydroxy-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[7-hydroxy-3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: benzyl-[[7-hydroxy-4-keto-3-(2-methoxyphenyl)-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C26H23F3NO4+ MolecularWeight: 470.46033

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C(F)(F)F)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4OC)C(F)(F)F)O

InChI

InChI=1S/C26H22F3NO4/c1-30(14-16-8-4-3-5-9-16)15-19-20(31)13-12-18-23(32)22(17-10-6-7-11-21(17)33-2)25(26(27,28)29)34-24(18)19/h3-13,31H,14-15H2,1-2H3/p+1