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

Systemtic Name: cyclohexyl-[[3-(3,4-dimethoxyphenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium Openeye Name: cyclohexyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: cyclohexyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-ethylammonium IUPAC Name: cyclohexyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: cyclohexyl-[[3-(3,4-dimethoxyphenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C27H31F3NO5+ MolecularWeight: 506.53395

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O)C4CCCCC4

Isomeric SMILES

CC[NH+](CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC(=C(C=C3)OC)OC)C(F)(F)F)O)C4CCCCC4

InChI

InChI=1S/C27H30F3NO5/c1-4-31(17-8-6-5-7-9-17)15-19-20(32)12-11-18-24(33)23(26(27(28,29)30)36-25(18)19)16-10-13-21(34-2)22(14-16)35-3/h10-14,17,32H,4-9,15H2,1-3H3/p+1