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

Systemtic Name: 3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(4-methoxyphenoxy)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C22H26N2O5+2 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)OC)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=C(C=C4)OC)O

InChI

InChI=1S/C22H24N2O5/c1-23-9-11-24(12-10-23)13-18-19(25)8-7-17-21(26)20(14-28-22(17)18)29-16-5-3-15(27-2)4-6-16/h3-8,14,25H,9-13H2,1-2H3/p+2