2-[3-(1-adamantyl)imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide

Systemtic Name: 2-[3-(1-adamantyl)imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-[3-(1-adamantyl)imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-[3-(1-adamantyl)-1-imidazol-1-iumyl]-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-[3-(1-adamantyl)imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-[3-(1-adamantyl)imidazol-1-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide Formula: C22H27BrN2O2 MolecularWeight: 431.36598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C34CC5CC(C3)CC(C5)C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C34CC5CC(C3)CC(C5)C4.[Br-]

InChI

InChI=1S/C22H27N2O2.BrH/c1-26-20-4-2-19(3-5-20)21(25)14-23-6-7-24(15-23)22-11-16-8-17(12-22)10-18(9-16)13-22;/h2-7,15-18H,8-14H2,1H3;1H/q+1;/p-1