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

Systemtic Name: 1-phenylmethoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiolate Openeye Name: 1-benzyloxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiolate CAS Name: 1-phenylmethoxy-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanethiolate IUPAC Name: 1-phenylmethoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiolate Traditional Name: 1-benzoxy-3-(4-phenylpiperazin-1-ium-1-yl)propane-2-thiolate Formula: C20H26N2OS MolecularWeight: 342.49824

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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+]1CC(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