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

Systemtic Name: 3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-(2-methoxyphenoxy)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C22H25N2O5+ MolecularWeight: 397.4443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4OC)O

InChI

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