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

Systemtic Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-2-methyl-4-oxo-chromen-7-olate CAS Name: 8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-3-(4-methoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-olate Traditional Name: 8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-3-(4-methoxyphenyl)-2-methyl-chromen-7-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5/c1-16-22(17-3-5-18(30-2)6-4-17)23(29)19-7-8-21(28)20(24(19)31-16)15-26-11-9-25(10-12-26)13-14-27/h3-8,27-28H,9-15H2,1-2H3