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

Systemtic Name: 4-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-piperidin-1-ium-1-ylethyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(1-piperidin-1-iumyl)ethyl]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-piperidin-1-ium-1-ylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-piperidin-1-ium-1-ylethyl)-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H20N5S+ MolecularWeight: 290.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N5S/c20-14-17-16-13(12-5-4-6-15-11-12)19(14)10-9-18-7-2-1-3-8-18/h4-6,11H,1-3,7-10H2,(H,17,20)/p+1