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

Systemtic Name: 1-(1-adamantyl)-2-(3-azanyl-1H-isoindol-2-ium-2-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone CAS Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-(3-amino-1H-isoindol-2-ium-2-yl)ethanone Formula: C20H25N2O+ MolecularWeight: 309.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O/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/p+1