2-tert-butyl-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-tert-butyl-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-tert-butyl-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-tert-butyl-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-tert-butyl-3H-isoindol-2-ium-1-amine bromide Traditional Name: (2-tert-butyl-3H-isoindol-2-ium-1-yl)amine bromide Formula: C12H17BrN2 MolecularWeight: 269.18078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=C(C2=CC=CC=C2C1)N.[Br-]

Isomeric SMILES

CC(C)(C)[N+]1=C(C2=CC=CC=C2C1)N.[Br-]

InChI

InChI=1S/C12H16N2.BrH/c1-12(2,3)14-8-9-6-4-5-7-10(9)11(14)13;/h4-7,13H,8H2,1-3H3;1H