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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-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=C(C3=O)C4=CC(=C(C=C4)OC)OC)[O-]

Isomeric SMILES

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

InChI

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