2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furylmethyl)acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-(2-furfuryl)acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N(CCC#N)CC2=CC=CO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-17-4-1-5-18(14-17)24-11-9-23(10-12-24)16-20(26)25(8-3-7-22)15-19-6-2-13-27-19/h1-2,4-6,13-14H,3,8-12,15-16H2/p+1