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

Systemtic Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-methoxy-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-morpholino-ethanone CAS Name: 2-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-methoxyphenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-morpholino-ethanone Formula: C27H34N3O6+ MolecularWeight: 496.57536

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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)N5CCOCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4)OCC(=O)N5CCOCC5

InChI

InChI=1S/C27H33N3O6/c1-33-25-17-22(3-5-24(25)36-19-26(31)29-11-14-34-15-12-29)27(32)30-9-7-28(8-10-30)18-20-2-4-23-21(16-20)6-13-35-23/h2-5,16-17H,6-15,18-19H2,1H3/p+1