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

Systemtic Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-4-oxo-chromen-7-olate CAS Name: 8-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-(4-methoxycarbonylphenoxy)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-(4-methoxycarbonylphenoxy)-4-oxochromen-7-olate Traditional Name: 3-(4-carbomethoxyphenoxy)-8-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-keto-chromen-7-olate Formula: C24H26N2O6 MolecularWeight: 438.47304

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-3-25-10-12-26(13-11-25)14-19-20(27)9-8-18-22(28)21(15-31-23(18)19)32-17-6-4-16(5-7-17)24(29)30-2/h4-9,15,27H,3,10-14H2,1-2H3