(2R)-1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazin-1-iumyl]-3-(phenylthio)-2-propanol IUPAC Name: (2R)-1-phenylsulfanyl-3-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]-3-(phenylthio)propan-2-ol Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CSC2=CC=CC=C2)O)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS2/c26-18(16-27-19-9-5-2-6-10-19)15-24-11-13-25(14-12-24)21-22-20(23-28-21)17-7-3-1-4-8-17/h1-10,18,26H,11-16H2/p+1/t18-/m1/s1