1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(2,2-dimethyl-3H-benzofuran-7-yl)oxy]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2,2-dimethylcoumaran-7-yl)oxy-ethanone Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C25H30N2O4/c1-25(2)15-20-4-3-5-22(24(20)31-25)30-17-23(28)27-11-9-26(10-12-27)16-18-6-7-21-19(14-18)8-13-29-21/h3-7,14H,8-13,15-17H2,1-2H3/p+1