3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-oxochromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-chromen-7-olate Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

InChI

InChI=1S/C24H28N2O6/c1-30-17-4-6-22(31-2)18(14-17)19-13-16-3-5-21(28)20(23(16)32-24(19)29)15-26-9-7-25(8-10-26)11-12-27/h3-6,13-14,27-28H,7-12,15H2,1-2H3