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

Systemtic Name: 1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[1-(3-furylmethyl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide CAS Name: 1-[1-(3-furanylmethyl)-4-piperidin-1-iumyl]-N-(2-methylpropyl)-4-triazolecarboxamide IUPAC Name: 1-[1-(furan-3-ylmethyl)piperidin-1-ium-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide Traditional Name: 1-[1-(3-furfuryl)piperidin-1-ium-4-yl]-N-isobutyl-triazole-4-carboxamide Formula: C17H26N5O2+ MolecularWeight: 332.42064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=COC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CC[NH+](CC2)CC3=COC=C3

InChI

InChI=1S/C17H25N5O2/c1-13(2)9-18-17(23)16-11-22(20-19-16)15-3-6-21(7-4-15)10-14-5-8-24-12-14/h5,8,11-13,15H,3-4,6-7,9-10H2,1-2H3,(H,18,23)/p+1