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

Systemtic Name: 3-(4-methoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(4-methoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(4-methoxycarbonylphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(4-methoxycarbonylphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C24H23F3N2O6 MolecularWeight: 492.44443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OC)C(F)(F)F)[O-]

InChI

InChI=1S/C24H23F3N2O6/c1-28-9-11-29(12-10-28)13-17-18(30)8-7-16-19(31)21(22(24(25,26)27)35-20(16)17)34-15-5-3-14(4-6-15)23(32)33-2/h3-8,30H,9-13H2,1-2H3