3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-keto-chromen-7-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=C(C=CC(=C4)OC)OC)[O-]

InChI

InChI=1S/C24H28N2O5/c1-4-25-9-11-26(12-10-25)15-20-21(27)7-5-16-13-19(24(28)31-23(16)20)18-14-17(29-2)6-8-22(18)30-3/h5-8,13-14,27H,4,9-12,15H2,1-3H3