3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-(2,5-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-keto-4-methyl-chromen-7-olate Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)[O-])C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH+]3CCN(CC3)CCO)[O-])C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H30N2O6/c1-16-18-5-6-21(29)20(15-27-10-8-26(9-11-27)12-13-28)24(18)33-25(30)23(16)19-14-17(31-2)4-7-22(19)32-3/h4-7,14,28-29H,8-13,15H2,1-3H3