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

Systemtic Name: 1-(1-adamantyl)-2-quinolin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(1-adamantyl)-2-quinolin-1-ium-1-yl-ethanone bromide CAS Name: 1-(1-adamantyl)-2-(1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-quinolin-1-ium-1-ylethanone bromide Traditional Name: 1-(1-adamantyl)-2-quinolin-1-ium-1-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=CC=CC5=CC=CC=C54.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=CC5=CC=CC=C54.[Br-]

InChI

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