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

Systemtic Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone CAS Name: 1-[4-(2-adamantyl)-1-piperazin-4-iumyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Formula: C22H30ClN2O2+ MolecularWeight: 389.9388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)COC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1C2C3CC4CC(C3)CC2C4)C(=O)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H29ClN2O2/c23-19-1-3-20(4-2-19)27-14-21(26)24-5-7-25(8-6-24)22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,15-18,22H,5-14H2/p+1