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

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-7-oxidanyl-chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethyl-1-piperazin-4-iumyl)methyl]-7-hydroxy-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methylchromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-8-[(4-ethylpiperazin-4-ium-1-yl)methyl]-7-hydroxy-2-methyl-chromone Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC(=CC(=C4)C)C)C)O

InChI

InChI=1S/C25H30N2O4/c1-5-26-8-10-27(11-9-26)15-21-22(28)7-6-20-23(29)24(18(4)30-25(20)21)31-19-13-16(2)12-17(3)14-19/h6-7,12-14,28H,5,8-11,15H2,1-4H3/p+1