2-dimethylaminoethyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium

Systemtic Name: 2-dimethylaminoethyl-[[3-(4-ethoxycarbonylphenoxy)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium Openeye Name: 2-dimethylaminoethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: 2-dimethylaminoethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-ethylammonium IUPAC Name: 2-dimethylaminoethyl-[[3-(4-ethoxycarbonylphenoxy)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: [3-(4-carbethoxyphenoxy)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl-(2-dimethylaminoethyl)-ethyl-ammonium Formula: C26H30F3N2O6+ MolecularWeight: 523.52141

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCN(C)C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)O

Isomeric SMILES

CC[NH+](CCN(C)C)CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)C(=O)OCC)C(F)(F)F)O

InChI

InChI=1S/C26H29F3N2O6/c1-5-31(14-13-30(3)4)15-19-20(32)12-11-18-21(33)23(24(26(27,28)29)37-22(18)19)36-17-9-7-16(8-10-17)25(34)35-6-2/h7-12,32H,5-6,13-15H2,1-4H3/p+1