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

Systemtic Name: (2S)-1-phenylmethoxy-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propane-2-thiol Openeye Name: (2S)-1-benzyloxy-3-(4-benzylpiperazin-1-ium-1-yl)propane-2-thiol CAS Name: (2S)-1-phenylmethoxy-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]-2-propanethiol IUPAC Name: (2S)-1-(4-benzylpiperazin-1-ium-1-yl)-3-phenylmethoxypropane-2-thiol Traditional Name: (2S)-1-benzoxy-3-(4-benzylpiperazin-1-ium-1-yl)propane-2-thiol Formula: C21H29N2OS+ MolecularWeight: 357.53276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCC2=CC=CC=C2)S)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COCC2=CC=CC=C2)S)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2OS/c25-21(18-24-17-20-9-5-2-6-10-20)16-23-13-11-22(12-14-23)15-19-7-3-1-4-8-19/h1-10,21,25H,11-18H2/p+1/t21-/m0/s1