N'-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-tert-butyl-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-tert-butyl-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-tert-butyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-tert-butyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C17H28N3O2S+ MolecularWeight: 338.48812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

CC(C)(C)NC(=O)C(=O)NCC1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C17H27N3O2S/c1-17(2,3)19-16(22)15(21)18-11-13-6-8-20(9-7-13)12-14-5-4-10-23-14/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,18,21)(H,19,22)/p+1