2-(3-methoxypropyl)-3H-isoindol-2-ium-1-amine bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O.BrH/c1-15-8-4-7-14-9-10-5-2-3-6-11(10)12(14)13;/h2-3,5-6,13H,4,7-9H2,1H3;1H