1-(1-adamantyl)-2-(4-azanylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(4-azanylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-(4-aminopyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(1-adamantyl)-2-(4-amino-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(4-aminopyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-(4-aminopyridin-1-ium-1-yl)ethanone bromide Formula: C17H23BrN2O MolecularWeight: 351.28132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)N.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)N.[Br-]

InChI

InChI=1S/C17H22N2O.BrH/c18-15-1-3-19(4-2-15)11-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17;/h1-4,12-14,18H,5-11H2;1H