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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(3-methoxyphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-4-oxochromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(3-methoxyphenoxy)chromen-7-olate Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)[O-]

InChI

InChI=1S/C23H26N2O6/c1-29-16-3-2-4-17(13-16)31-21-15-30-23-18(22(21)28)5-6-20(27)19(23)14-25-9-7-24(8-10-25)11-12-26/h2-6,13,15,26-27H,7-12,14H2,1H3