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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-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:

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

Isomeric SMILES

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

InChI

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