(2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-(3-phenoxyphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol Formula: C25H28FN2O3+ MolecularWeight: 423.499823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=CC(=C2)OC3=CC=CC=C3)O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=CC(=C2)OC3=CC=CC=C3)O)C4=CC=CC=C4F

InChI

InChI=1S/C25H27FN2O3/c26-24-11-4-5-12-25(24)28-15-13-27(14-16-28)18-20(29)19-30-22-9-6-10-23(17-22)31-21-7-2-1-3-8-21/h1-12,17,20,29H,13-16,18-19H2/p+1/t20-/m0/s1