(2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propane-2-thiol

Systemtic Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propane-2-thiol Openeye Name: (2S)-1-benzyloxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propane-2-thiol CAS Name: (2S)-1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanethiol IUPAC Name: (2S)-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxypropane-2-thiol Traditional Name: (2S)-1-benzoxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propane-2-thiol Formula: C20H26FN2OS+ MolecularWeight: 361.496643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)S)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)S)C3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2OS/c21-19-8-4-5-9-20(19)23-12-10-22(11-13-23)14-18(25)16-24-15-17-6-2-1-3-7-17/h1-9,18,25H,10-16H2/p+1/t18-/m0/s1