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

Systemtic Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(3-methoxyphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 4-keto-3-(3-methoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C23H23F3N2O5 MolecularWeight: 464.43433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F3N2O5/c1-27-8-10-28(11-9-27)13-17-18(29)7-6-16-19(30)21(22(23(24,25)26)33-20(16)17)32-15-5-3-4-14(12-15)31-2/h3-7,12,29H,8-11,13H2,1-2H3