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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-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)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=CC(=C(C=C4)OC)OC)C(F)(F)F)[O-]

InChI

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