3-ethyl-4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-ethyl-4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-ethyl-4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-ethyl-4-[3-[(2R)-2-methyl-1-piperidin-1-iumyl]propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-ethyl-4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-[3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl]-1H-1,2,4-triazole-5-thione Formula: C13H25N4S+ MolecularWeight: 269.4294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1CCC[NH+]2CCCCC2C

Isomeric SMILES

CCC1=NNC(=S)N1CCC[NH+]2CCCC[C@H]2C

InChI

InChI=1S/C13H24N4S/c1-3-12-14-15-13(18)17(12)10-6-9-16-8-5-4-7-11(16)2/h11H,3-10H2,1-2H3,(H,15,18)/p+1/t11-/m1/s1