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

Systemtic Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2S)-1-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C25H28FN2O2+ MolecularWeight: 407.500423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O2/c26-22-8-10-23(11-9-22)28-16-14-27(15-17-28)18-24(29)19-30-25-12-6-21(7-13-25)20-4-2-1-3-5-20/h1-13,24,29H,14-19H2/p+1/t24-/m0/s1