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

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol Openeye Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-(phenylthio)-2-propanol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylsulfanylpropan-2-ol Traditional Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-(phenylthio)propan-2-ol Formula: C19H24FN2OS+ MolecularWeight: 347.470063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CSC2=CC=CC=C2)O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](CSC2=CC=CC=C2)O)C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN2OS/c20-18-8-4-5-9-19(18)22-12-10-21(11-13-22)14-16(23)15-24-17-6-2-1-3-7-17/h1-9,16,23H,10-15H2/p+1/t16-/m0/s1