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

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C24H27N2O6+ MolecularWeight: 439.48098

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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/p+1