3-(2-ethoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CCOC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C23H26N2O5/c1-3-28-19-6-4-5-7-20(19)30-21-15-29-23-16(22(21)27)8-9-18(26)17(23)14-25-12-10-24(2)11-13-25/h4-9,15,26H,3,10-14H2,1-2H3/p+2