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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(3-methoxyphenoxy)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenoxy)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(3-methoxyphenoxy)-2-methyl-chromen-7-olate Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)CCO)OC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCN(CC3)CCO)OC4=CC(=CC=C4)OC

InChI

InChI=1S/C24H28N2O6/c1-16-23(32-18-5-3-4-17(14-18)30-2)22(29)19-6-7-21(28)20(24(19)31-16)15-26-10-8-25(9-11-26)12-13-27/h3-7,14,27-28H,8-13,15H2,1-2H3