1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)COC5=CC=CC=C5

InChI

InChI=1S/C22H30N2O2/c25-21(16-26-20-4-2-1-3-5-20)23-6-8-24(9-7-23)22-13-17-10-18(14-22)12-19(11-17)15-22/h1-5,17-19H,6-16H2/p+1