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

Systemtic Name: (2S)-1-(diphenylmethyl)oxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-benzhydryloxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(diphenylmethyl)oxy-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-benzhydryloxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-benzhydryloxy-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C26H30FN2O2+ MolecularWeight: 421.527003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O2/c27-23-11-13-24(14-12-23)29-17-15-28(16-18-29)19-25(30)20-31-26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25-26,30H,15-20H2/p+1/t25-/m0/s1