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

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

C1CC[NH+](CC1)CCN2C(=NNC2=S)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=NNC2=S)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H19ClN4S/c16-13-6-4-5-12(11-13)14-17-18-15(21)20(14)10-9-19-7-2-1-3-8-19/h4-6,11H,1-3,7-10H2,(H,18,21)/p+1