2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]ethanamide

Systemtic Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]ethanamide Openeye Name: 2-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]acetamide CAS Name: 2-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxyphenoxy]acetamide IUPAC Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxyphenoxy]acetamide Traditional Name: 2-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]acetamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OCC(=O)N

InChI

InChI=1S/C23H27N3O5/c1-29-21-13-18(3-5-20(21)31-15-22(24)27)23(28)26-9-7-25(8-10-26)14-16-2-4-19-17(12-16)6-11-30-19/h2-5,12-13H,6-11,14-15H2,1H3,(H2,24,27)/p+1