3-(3,5-dimethylphenoxy)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C24H30N2O4+2 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+]4CC[NH+](CC4)C)O)C)C

InChI

InChI=1S/C24H28N2O4/c1-15-11-16(2)13-18(12-15)30-23-17(3)29-24-19(22(23)28)5-6-21(27)20(24)14-26-9-7-25(4)8-10-26/h5-6,11-13,27H,7-10,14H2,1-4H3/p+2