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

Systemtic Name: 1-[4-[4-(2-adamantyl)piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(2-adamantyl)piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(2-adamantyl)-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(2-adamantyl)piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(2-adamantyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H30N2O/c1-15(25)18-2-4-21(5-3-18)23-6-8-24(9-7-23)22-19-11-16-10-17(13-19)14-20(22)12-16/h2-5,16-17,19-20,22H,6-14H2,1H3/p+1