2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C19H29ClN4OS+2 MolecularWeight: 396.97776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Cl)C3(CCCCC3)C#N

InChI

InChI=1S/C19H27ClN4OS/c1-22(19(15-21)7-3-2-4-8-19)18(25)14-24-11-9-23(10-12-24)13-16-5-6-17(20)26-16/h5-6H,2-4,7-14H2,1H3/p+2