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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(3,4-dimethoxyphenyl)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C25H30N2O5 MolecularWeight: 438.5161

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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)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-5-26-10-12-27(13-11-26)15-19-20(28)8-7-18-24(29)23(16(2)32-25(18)19)17-6-9-21(30-3)22(14-17)31-4/h6-9,14,28H,5,10-13,15H2,1-4H3