3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C23H26N2O5+2 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C23H24N2O5/c1-24-6-8-25(9-7-24)13-17-19(26)4-3-16-22(27)18(14-30-23(16)17)15-2-5-20-21(12-15)29-11-10-28-20/h2-5,12,14,26H,6-11,13H2,1H3/p+2