8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxo-2-phenyl-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-5-methoxy-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-5-methoxy-4-oxo-2-phenylchromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-5-methoxy-2-phenyl-chromen-7-olate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCN(CC3)CCO)C4=CC=CC=C4

InChI

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