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

Systemtic Name: 3-(2-ethoxyphenoxy)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-chromen-4-one CAS Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methylchromen-4-one Traditional Name: 3-(2-ethoxyphenoxy)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-chromone Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O)C

Isomeric SMILES

CCOC1=CC=CC=C1OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)O)C

InChI

InChI=1S/C25H30N2O6/c1-3-31-21-6-4-5-7-22(21)33-24-17(2)32-25-18(23(24)30)8-9-20(29)19(25)16-27-12-10-26(11-13-27)14-15-28/h4-9,28-29H,3,10-16H2,1-2H3/p+1