3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-(trifluoromethyl)chromen-7-olate Formula: C25H27F3N2O5 MolecularWeight: 492.48749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4OCC)C(F)(F)F)[O-]

InChI

InChI=1S/C25H27F3N2O5/c1-3-29-11-13-30(14-12-29)15-17-18(31)10-9-16-21(32)23(24(25(26,27)28)35-22(16)17)34-20-8-6-5-7-19(20)33-4-2/h5-10,31H,3-4,11-15H2,1-2H3