N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(5-methyl-1,2-oxazol-3-yl)ethanediamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(5-methyl-1,2-oxazol-3-yl)ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(5-methylisoxazol-3-yl)oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-(5-methyl-3-isoxazolyl)oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-(5-methylisoxazol-3-yl)oxamide Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C17H22N4O4/c1-12-9-15(20-25-12)19-17(23)16(22)18-10-13-4-6-21(7-5-13)11-14-3-2-8-24-14/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)(H,19,20,23)/p+1