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

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-2-(trifluoromethyl)chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-2-(trifluoromethyl)chromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-(trifluoromethyl)chromen-7-olate Formula: C24H25F3N2O5 MolecularWeight: 478.46091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C)[O-])C(F)(F)F

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)C)[O-])C(F)(F)F

InChI

InChI=1S/C24H25F3N2O5/c1-3-32-18-6-4-5-7-19(18)33-22-20(31)15-8-9-17(30)16(14-29-12-10-28(2)11-13-29)21(15)34-23(22)24(25,26)27/h4-9,30H,3,10-14H2,1-2H3