methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H26N2O4+2 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C20H24N2O4/c1-24-20(23)19-5-3-17(26-19)14-22-9-7-21(8-10-22)13-15-2-4-18-16(12-15)6-11-25-18/h2-5,12H,6-11,13-14H2,1H3/p+2