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

Systemtic Name: 1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propane-2-thiolate Openeye Name: 1-benzyloxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propane-2-thiolate CAS Name: 1-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanethiolate IUPAC Name: 1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-phenylmethoxypropane-2-thiolate Traditional Name: 1-benzoxy-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propane-2-thiolate Formula: C20H25FN2OS MolecularWeight: 360.488703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1CC(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