2-(1-methoxypropan-2-yl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(1-methoxypropan-2-yl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-(2-methoxy-1-methyl-ethyl)-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(1-methoxypropan-2-yl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(1-methoxypropan-2-yl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-(2-methoxy-1-methyl-ethyl)-3H-isoindol-2-ium-1-yl]amine bromide Formula: C12H17BrN2O MolecularWeight: 285.18018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O.BrH/c1-9(8-15-2)14-7-10-5-3-4-6-11(10)12(14)13;/h3-6,9,13H,7-8H2,1-2H3;1H