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

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C24H36N4OS+2 MolecularWeight: 428.63384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)N(CCC#N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4OS/c25-4-2-5-28(24-14-19-11-20(15-24)13-21(12-19)16-24)23(29)18-27-8-6-26(7-9-27)17-22-3-1-10-30-22/h1,3,10,19-21H,2,5-9,11-18H2/p+2