(2R)-1-dibenzofuran-2-yloxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-dibenzofuran-2-yloxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-dibenzofuran-2-yloxy-propan-2-ol CAS Name: (2R)-1-(2-dibenzofuranyloxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-dibenzofuran-2-yloxypropan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-dibenzofuran-2-yloxy-propan-2-ol Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C54)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](COC3=CC4=C(C=C3)OC5=CC=CC=C54)O

InChI

InChI=1S/C26H28N2O3/c29-21(18-28-14-12-27(13-15-28)17-20-6-2-1-3-7-20)19-30-22-10-11-26-24(16-22)23-8-4-5-9-25(23)31-26/h1-11,16,21,29H,12-15,17-19H2/p+1/t21-/m1/s1