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

Systemtic Name: 4-(4-chlorophenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-[(1R)-1-(1-piperidin-1-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-[(1R)-1-piperidin-1-ium-1-ylethyl]-1H-1,2,4-triazole-5-thione Formula: C15H20ClN4S+ MolecularWeight: 323.8641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4S/c1-11(19-9-3-2-4-10-19)14-17-18-15(21)20(14)13-7-5-12(16)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,18,21)/p+1/t11-/m1/s1