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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2S/c1-13(2)10-18-16(21)17(22)19-11-14-5-7-20(8-6-14)12-15-4-3-9-23-15/h3-4,9,13-14H,5-8,10-12H2,1-2H3,(H,18,21)(H,19,22)/p+1