3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]ethoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromen-4-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethoxy]chromone Formula: C25H31N2O6+ MolecularWeight: 455.52344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCN(CC4)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC[NH+]4CCN(CC4)CCO)OC

InChI

InChI=1S/C25H30N2O6/c1-30-22-6-3-18(15-24(22)31-2)21-17-33-23-16-19(4-5-20(23)25(21)29)32-14-12-27-9-7-26(8-10-27)11-13-28/h3-6,15-17,28H,7-14H2,1-2H3/p+1