1-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(1-adamantyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Formula: C21H24BrNO MolecularWeight: 386.32536

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC5=CC=CC=C5C=C4.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC5=CC=CC=C5C=C4.[Br-]

InChI

InChI=1S/C21H24NO.BrH/c23-20(14-22-6-5-18-3-1-2-4-19(18)13-22)21-10-15-7-16(11-21)9-17(8-15)12-21;/h1-6,13,15-17H,7-12,14H2;1H/q+1;/p-1