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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C25H28N2O6 MolecularWeight: 452.49962

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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)OC)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-4-26-11-13-27(14-12-26)15-20-21(28)10-9-19-22(29)23(16(2)32-24(19)20)33-18-7-5-17(6-8-18)25(30)31-3/h5-10,28H,4,11-15H2,1-3H3