(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propane-2-thiol

Systemtic Name: (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-phenylmethoxy-propane-2-thiol Openeye Name: (2R)-1-benzyloxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propane-2-thiol CAS Name: (2R)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-3-phenylmethoxy-2-propanethiol IUPAC Name: (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-phenylmethoxypropane-2-thiol Traditional Name: (2R)-1-benzoxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propane-2-thiol Formula: C21H29N2O2S+ MolecularWeight: 373.53216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COCC3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COCC3=CC=CC=C3)S

InChI

InChI=1S/C21H28N2O2S/c1-24-21-10-6-5-9-20(21)23-13-11-22(12-14-23)15-19(26)17-25-16-18-7-3-2-4-8-18/h2-10,19,26H,11-17H2,1H3/p+1/t19-/m1/s1