2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(4-cyano-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(4-cyano-1-phenyl-2-pyrindan-3-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C27H28N5O+ MolecularWeight: 438.54412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=NC(=C2C1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5)C#N

Isomeric SMILES

C1CC2=C(C(=NC(=C2C1)C3=CC=CC=C3)N4CC[NH+](CC4)CC(=O)NC5=CC=CC=C5)C#N

InChI

InChI=1S/C27H27N5O/c28-18-24-22-12-7-13-23(22)26(20-8-3-1-4-9-20)30-27(24)32-16-14-31(15-17-32)19-25(33)29-21-10-5-2-6-11-21/h1-6,8-11H,7,12-17,19H2,(H,29,33)/p+1