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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN2OS/c21-18-6-8-19(9-7-18)23-12-10-22(11-13-23)14-20(25)16-24-15-17-4-2-1-3-5-17/h1-9,20,25H,10-16H2/p+1/t20-/m0/s1