4-[[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 4-[[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 4-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one CAS Name: 4-[[4-(4-cyclohexyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-1H-pyridin-2-one IUPAC Name: 4-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 4-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-pyridone Formula: C19H28N5O+ MolecularWeight: 342.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=O)NC=C4

Isomeric SMILES

C1CCC(CC1)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CC(=O)NC=C4

InChI

InChI=1S/C19H27N5O/c25-19-12-15(6-9-20-19)13-23-10-7-17(8-11-23)24-14-18(21-22-24)16-4-2-1-3-5-16/h6,9,12,14,16-17H,1-5,7-8,10-11,13H2,(H,20,25)/p+1