6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one

Systemtic Name: 6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-5,7-bis(oxidanyl)-2-phenyl-chromen-4-one Openeye Name: 5,7-dihydroxy-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-chromen-4-one CAS Name: 5,7-dihydroxy-6,8-bis[(4-methyl-1-piperazin-4-iumyl)methyl]-2-phenyl-1-benzopyran-4-one IUPAC Name: 5,7-dihydroxy-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenylchromen-4-one Traditional Name: 5,7-dihydroxy-6,8-bis[(4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-chromone Formula: C27H36N4O4+2 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C3=C(C(=C2O)CN4CC[NH+](CC4)C)OC(=CC3=O)C5=CC=CC=C5)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C3=C(C(=C2O)CN4CC[NH+](CC4)C)OC(=CC3=O)C5=CC=CC=C5)O

InChI

InChI=1S/C27H34N4O4/c1-28-8-12-30(13-9-28)17-20-25(33)21(18-31-14-10-29(2)11-15-31)27-24(26(20)34)22(32)16-23(35-27)19-6-4-3-5-7-19/h3-7,16,33-34H,8-15,17-18H2,1-2H3/p+2