3-ethoxycarbonyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-benzo[g][1]benzofuran-5-olate

Systemtic Name: 3-ethoxycarbonyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-benzo[g][1]benzofuran-5-olate Openeye Name: 3-ethoxycarbonyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-benzo[g]benzofuran-5-olate CAS Name: 3-ethoxycarbonyl-4-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-5-benzo[g]benzofuranolate IUPAC Name: 3-ethoxycarbonyl-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methylbenzo[g][1]benzofuran-5-olate Traditional Name: 3-carbethoxy-4-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-benzo[g]benzofuran-5-olate Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C[NH+]4CCN(CC4)CCO)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)[O-])C[NH+]4CCN(CC4)CCO)C

InChI

InChI=1S/C23H28N2O5/c1-3-29-23(28)19-15(2)30-22-17-7-5-4-6-16(17)21(27)18(20(19)22)14-25-10-8-24(9-11-25)12-13-26/h4-7,26-27H,3,8-14H2,1-2H3