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

Systemtic Name: 2-[4-(1-adamantyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[4-(1-adamantyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[4-(1-adamantyl)phenoxy]-1-(4-ethyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[4-(1-adamantyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[4-(1-adamantyl)phenoxy]-1-(4-ethylpiperazin-4-ium-1-yl)ethanone Formula: C24H35N2O2+ MolecularWeight: 383.5469

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O2/c1-2-25-7-9-26(10-8-25)23(27)17-28-22-5-3-21(4-6-22)24-14-18-11-19(15-24)13-20(12-18)16-24/h3-6,18-20H,2,7-17H2,1H3/p+1