N-(2-methylpropylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(isobutylcarbamoyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-methylpropylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(isobutylcarbamoyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C16H28N4O2S+2 MolecularWeight: 340.48412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C16H26N4O2S/c1-13(2)10-17-16(22)18-15(21)12-20-7-5-19(6-8-20)11-14-4-3-9-23-14/h3-4,9,13H,5-8,10-12H2,1-2H3,(H2,17,18,21,22)/p+2