2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-bromo-2-chloro-phenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazin-1-iumyl]-N-(4-bromo-2-chlorophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)piperazin-1-ium-1-yl]-N-(4-bromo-2-chloro-phenyl)acetamide Formula: C22H30BrClN3O+ MolecularWeight: 467.8501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=C(C=C2)Br)Cl)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29BrClN3O/c23-18-1-2-20(19(24)10-18)25-21(28)14-26-3-5-27(6-4-26)22-11-15-7-16(12-22)9-17(8-15)13-22/h1-2,10,15-17H,3-9,11-14H2,(H,25,28)/p+1