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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC3=C(C(=C(C=C3)[O-])C[NH+]4CCN(CC4)CCO)OC2=O

InChI

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