1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-chloranyl-6-fluoranyl-phenyl)ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-chloranyl-6-fluoranyl-phenyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-chloro-6-fluoro-phenyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(2-chloro-6-fluorophenyl)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-chloro-6-fluoro-phenyl)ethanone Formula: C22H29ClFN2O+ MolecularWeight: 391.929863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C22H28ClFN2O/c23-19-2-1-3-20(24)18(19)11-21(27)25-4-6-26(7-5-25)22-12-15-8-16(13-22)10-17(9-15)14-22/h1-3,15-17H,4-14H2/p+1