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

Systemtic Name: 1-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Formula: C24H32N2O3+2 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H30N2O3/c1-3-28-24-7-5-20(18(2)27)15-22(24)17-26-11-9-25(10-12-26)16-19-4-6-23-21(14-19)8-13-29-23/h4-7,14-15H,3,8-13,16-17H2,1-2H3/p+2