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

Systemtic Name: N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-isoxazol-3-yl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(3-isoxazolyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-isoxazol-3-yl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C16H21N4O3S+ MolecularWeight: 349.42794

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=NOC=C2)CC3=CC=CS3

InChI

InChI=1S/C16H20N4O3S/c21-15(16(22)18-14-5-8-23-19-14)17-10-12-3-6-20(7-4-12)11-13-2-1-9-24-13/h1-2,5,8-9,12H,3-4,6-7,10-11H2,(H,17,21)(H,18,19,22)/p+1