1-(1-adamantyl)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)ethanone bromide

Systemtic Name: 1-(1-adamantyl)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)ethanone bromide Openeye Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone bromide CAS Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone bromide IUPAC Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone bromide Traditional Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone bromide Formula: C20H25BrN2O MolecularWeight: 389.3293

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=C(C5=CC=CC=C5C4)N.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=C(C5=CC=CC=C5C4)N.[Br-]

InChI

InChI=1S/C20H24N2O.BrH/c21-19-17-4-2-1-3-16(17)11-22(19)12-18(23)20-8-13-5-14(9-20)7-15(6-13)10-20;/h1-4,13-15,21H,5-12H2;1H