N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(1,2-oxazol-3-yl)ethanediamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(1,2-oxazol-3-yl)ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-isoxazol-3-yl-oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-(3-isoxazolyl)oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(1,2-oxazol-3-yl)oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-isoxazol-3-yl-oxamide Formula: C16H21N4O4+ MolecularWeight: 333.36234

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CO3

InChI

InChI=1S/C16H20N4O4/c21-15(16(22)18-14-5-9-24-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-8-23-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)/p+1