8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)chromen-4-one CAS Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(3-methoxyphenoxy)-1-benzopyran-4-one IUPAC Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)chromen-4-one Traditional Name: 7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)chromone Formula: C23H27N2O6+ MolecularWeight: 427.47028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O

Isomeric SMILES

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O

InChI

InChI=1S/C23H26N2O6/c1-29-16-3-2-4-17(13-16)31-21-15-30-23-18(22(21)28)5-6-20(27)19(23)14-25-9-7-24(8-10-25)11-12-26/h2-6,13,15,26-27H,7-12,14H2,1H3/p+1