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

Systemtic Name: (2S)-1-(diphenylmethyl)oxy-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-benzhydryloxy-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(diphenylmethyl)oxy-3-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-benzhydryloxy-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-benzhydryloxy-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propan-2-ol Formula: C26H30FN2O4S+ MolecularWeight: 485.590803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC(C2=CC=CC=C2)C3=CC=CC=C3)O)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O4S/c27-24-13-7-8-14-25(24)34(31,32)29-17-15-28(16-18-29)19-23(30)20-33-26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,30H,15-20H2/p+1/t23-/m0/s1