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

Systemtic Name: cyclohexyl-methyl-[[3-(3-methylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]azanium Openeye Name: cyclohexyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[7-hydroxy-3-(3-methylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-methylazanium Traditional Name: cyclohexyl-[[7-hydroxy-4-keto-3-(3-methylphenoxy)-2-(trifluoromethyl)chromen-8-yl]methyl]-methyl-ammonium Formula: C25H27F3NO4+ MolecularWeight: 462.48139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C4CCCCC4)O)C(F)(F)F

InChI

InChI=1S/C25H26F3NO4/c1-15-7-6-10-17(13-15)32-23-21(31)18-11-12-20(30)19(22(18)33-24(23)25(26,27)28)14-29(2)16-8-4-3-5-9-16/h6-7,10-13,16,30H,3-5,8-9,14H2,1-2H3/p+1