1-(1-adamantyl)-4-pyridin-4-yl-pyridin-1-ium bromide

Systemtic Name: 1-(1-adamantyl)-4-pyridin-4-yl-pyridin-1-ium bromide Openeye Name: 1-(1-adamantyl)-4-(4-pyridyl)pyridin-1-ium bromide CAS Name: 1-(1-adamantyl)-4-pyridin-4-ylpyridin-1-ium bromide IUPAC Name: 1-(1-adamantyl)-4-pyridin-4-ylpyridin-1-ium bromide Traditional Name: 1-(1-adamantyl)-4-(4-pyridyl)pyridin-1-ium bromide Formula: C20H23BrN2 MolecularWeight: 371.31402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-]

InChI

InChI=1S/C20H23N2.BrH/c1-5-21-6-2-18(1)19-3-7-22(8-4-19)20-12-15-9-16(13-20)11-17(10-15)14-20;/h1-8,15-17H,9-14H2;1H/q+1;/p-1