(2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-dibenzofuranyloxy)-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-dibenzofuran-2-yloxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propan-2-ol Formula: C24H27N3O3+2 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC3=C(C=C2)OC4=CC=CC=C43)O)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC3=C(C=C2)OC4=CC=CC=C43)O)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25N3O3/c28-18(16-26-11-13-27(14-12-26)24-7-3-4-10-25-24)17-29-19-8-9-23-21(15-19)20-5-1-2-6-22(20)30-23/h1-10,15,18,28H,11-14,16-17H2/p+2/t18-/m0/s1