8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(2-methoxyphenyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(2-methoxyphenyl)-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-3-(2-methoxyphenyl)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(2-methoxyphenyl)chromone Formula: C23H28N2O5+2 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)CCO)O

Isomeric SMILES

COC1=CC=CC=C1C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)CCO)O

InChI

InChI=1S/C23H26N2O5/c1-29-21-5-3-2-4-16(21)19-15-30-23-17(22(19)28)6-7-20(27)18(23)14-25-10-8-24(9-11-25)12-13-26/h2-7,15,26-27H,8-14H2,1H3/p+2