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

Systemtic Name: N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(5-methylisoxazol-3-yl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(5-methyl-3-isoxazolyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(5-methyl-1,2-oxazol-3-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(5-methylisoxazol-3-yl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C17H22N4O3S/c1-12-9-15(20-24-12)19-17(23)16(22)18-10-13-4-6-21(7-5-13)11-14-3-2-8-25-14/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,18,22)(H,19,20,23)/p+1