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

Systemtic Name: methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate CAS Name: 4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzoic acid methyl ester Formula: C22H28N2O3+2 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-26-22(25)19-5-2-17(3-6-19)15-23-9-11-24(12-10-23)16-18-4-7-21-20(14-18)8-13-27-21/h2-7,14H,8-13,15-16H2,1H3/p+2