ethyl 2-[[4-[(3-ethoxycarbonyl-5-oxidanyl-1-benzofuran-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-[[4-[(3-ethoxycarbonyl-5-oxidanyl-1-benzofuran-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-[[4-[(3-ethoxycarbonyl-5-hydroxy-benzofuran-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-5-hydroxy-benzofuran-3-carboxylate CAS Name: 2-[[4-[(3-ethoxycarbonyl-5-hydroxy-2-benzofuranyl)methyl]-1-piperazin-1-iumyl]methyl]-5-hydroxy-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-ethoxycarbonyl-5-hydroxy-1-benzofuran-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-5-hydroxy-1-benzofuran-3-carboxylate Traditional Name: 2-[[4-[(3-carbethoxy-5-hydroxy-benzofuran-2-yl)methyl]piperazin-1-ium-1-yl]methyl]-5-hydroxy-benzofuran-3-carboxylic acid ethyl ester Formula: C28H31N2O8+ MolecularWeight: 523.55434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCN(CC3)CC4=C(C5=C(O4)C=CC(=C5)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)O)C[NH+]3CCN(CC3)CC4=C(C5=C(O4)C=CC(=C5)O)C(=O)OCC

InChI

InChI=1S/C28H30N2O8/c1-3-35-27(33)25-19-13-17(31)5-7-21(19)37-23(25)15-29-9-11-30(12-10-29)16-24-26(28(34)36-4-2)20-14-18(32)6-8-22(20)38-24/h5-8,13-14,31-32H,3-4,9-12,15-16H2,1-2H3/p+1