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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-oxo-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-4-oxochromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(4-methoxyphenyl)chromen-7-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCN(CC4)CCO)[O-]

InChI

InChI=1S/C23H26N2O5/c1-29-17-4-2-16(3-5-17)20-15-30-23-18(22(20)28)6-7-21(27)19(23)14-25-10-8-24(9-11-25)12-13-26/h2-7,15,26-27H,8-14H2,1H3