1-[4-[(2R)-3-dibenzofuran-2-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2R)-3-dibenzofuran-2-yloxy-2-oxidanyl-propyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2R)-3-(2-dibenzofuranyloxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(2R)-3-dibenzofuran-2-yloxy-2-hydroxy-propyl]piperazin-4-ium-1-yl]ethanone Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)OC4=CC=CC=C43)O

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC3=C(C=C2)OC4=CC=CC=C43)O

InChI

InChI=1S/C21H24N2O4/c1-15(24)23-10-8-22(9-11-23)13-16(25)14-26-17-6-7-21-19(12-17)18-4-2-3-5-20(18)27-21/h2-7,12,16,25H,8-11,13-14H2,1H3/p+1/t16-/m1/s1