3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-chromen-7-olate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-7-olate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-chromen-7-olate Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)[O-])CCO

InChI

InChI=1S/C24H26N2O6/c27-10-9-25-5-7-26(8-6-25)14-18-20(28)3-2-17-23(29)19(15-32-24(17)18)16-1-4-21-22(13-16)31-12-11-30-21/h1-4,13,15,27-28H,5-12,14H2