4-phenyl-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-[(1R)-1-(1-piperidin-1-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NNC(=S)N1C2=CC=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C1=NNC(=S)N1C2=CC=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C15H20N4S/c1-12(18-10-6-3-7-11-18)14-16-17-15(20)19(14)13-8-4-2-5-9-13/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,20)/p+1/t12-/m1/s1