3-(1-methylpyrrolidin-1-ium-1-yl)-3H-2-benzofuran-1-one bromide

Systemtic Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-3H-2-benzofuran-1-one bromide Openeye Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-3H-isobenzofuran-1-one bromide CAS Name: 3-(1-methyl-1-pyrrolidin-1-iumyl)-3H-isobenzofuran-1-one bromide IUPAC Name: 3-(1-methylpyrrolidin-1-ium-1-yl)-3H-2-benzofuran-1-one bromide Traditional Name: 3-(1-methylpyrrolidin-1-ium-1-yl)phthalide bromide Formula: C13H16BrNO2 MolecularWeight: 298.17564

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C2C3=CC=CC=C3C(=O)O2.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)C2C3=CC=CC=C3C(=O)O2.[Br-]

InChI

InChI=1S/C13H16NO2.BrH/c1-14(8-4-5-9-14)12-10-6-2-3-7-11(10)13(15)16-12;/h2-3,6-7,12H,4-5,8-9H2,1H3;1H/q+1;/p-1