(2R)-1-phenylmethoxy-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propane-2-thiol

Systemtic Name: (2R)-1-phenylmethoxy-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propane-2-thiol Openeye Name: (2R)-1-benzyloxy-3-(4-benzylpiperazine-1,4-diium-1-yl)propane-2-thiol CAS Name: (2R)-1-phenylmethoxy-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanethiol IUPAC Name: (2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-phenylmethoxypropane-2-thiol Traditional Name: (2R)-1-benzoxy-3-(4-benzylpiperazine-1,4-diium-1-yl)propane-2-thiol Formula: C21H30N2OS+2 MolecularWeight: 358.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC(COCC3=CC=CC=C3)S

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C[C@H](COCC3=CC=CC=C3)S

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+2/t21-/m1/s1