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

Systemtic Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-ethoxycarbonylphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(4-carbethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=C(C=C4)C(=O)OCC)C)[O-]

InChI

InChI=1S/C26H30N2O6/c1-4-27-12-14-28(15-13-27)16-21-22(29)11-10-20-23(30)24(17(3)33-25(20)21)34-19-8-6-18(7-9-19)26(31)32-5-2/h6-11,29H,4-5,12-16H2,1-3H3