3-(3,4-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-(3,4-dimethoxyphenyl)-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H29N2O6+ MolecularWeight: 441.49686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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