(2S)-1-phenylmethoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiol

Systemtic Name: (2S)-1-phenylmethoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiol Openeye Name: (2S)-1-benzyloxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiol CAS Name: (2S)-1-phenylmethoxy-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanethiol IUPAC Name: (2S)-1-phenylmethoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiol Traditional Name: (2S)-1-benzoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiol Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2OS/c24-20(17-23-16-18-7-3-1-4-8-18)15-21-11-13-22(14-12-21)19-9-5-2-6-10-19/h1-10,20,24H,11-17H2/p+1/t20-/m0/s1