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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-3-(4-propoxycarbonylphenoxy)chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-3-[4-[oxo(propoxy)methyl]phenoxy]-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-3-(4-propoxycarbonylphenoxy)chromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(4-propoxycarbonylphenoxy)chromen-7-olate Formula: C26H30N2O7 MolecularWeight: 482.5256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O7/c1-2-15-33-26(32)18-3-5-19(6-4-18)35-23-17-34-25-20(24(23)31)7-8-22(30)21(25)16-28-11-9-27(10-12-28)13-14-29/h3-8,17,29-30H,2,9-16H2,1H3