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

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-methyl-chromen-7-olate Formula: C25H30N2O6 MolecularWeight: 454.5155

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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)CCO)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6/c1-3-31-21-6-4-5-7-22(21)33-24-17(2)32-25-18(23(24)30)8-9-20(29)19(25)16-27-12-10-26(11-13-27)14-15-28/h4-9,28-29H,3,10-16H2,1-2H3