[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H26N2O5/c1-27-20-13-18(14-21-22(20)30-11-10-29-21)23(26)25-7-5-24(6-8-25)15-16-2-3-19-17(12-16)4-9-28-19/h2-3,12-14H,4-11,15H2,1H3/p+1