1-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]triazole-4-carboxamide CAS Name: 1-[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: N-isobutyl-1-[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]triazole-4-carboxamide Formula: C18H34N6O+2 MolecularWeight: 350.50216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)C3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)C3CC[NH+](CC3)C

InChI

InChI=1S/C18H32N6O/c1-14(2)12-19-18(25)17-13-24(21-20-17)16-6-10-23(11-7-16)15-4-8-22(3)9-5-15/h13-16H,4-12H2,1-3H3,(H,19,25)/p+2