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

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H30N4OS+2 MolecularWeight: 362.5327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=CS2)C3(CCCCC3)C#N

InChI

InChI=1S/C19H28N4OS/c1-21(19(16-20)7-3-2-4-8-19)18(24)15-23-11-9-22(10-12-23)14-17-6-5-13-25-17/h5-6,13H,2-4,7-12,14-15H2,1H3/p+2