2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Formula: C18H17BrN2O3 MolecularWeight: 389.24318

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=C(C4=CC=CC=C4C3)N.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=C(C4=CC=CC=C4C3)N.[Br-]

InChI

InChI=1S/C18H16N2O3.BrH/c19-18-14-4-2-1-3-13(14)10-20(18)11-15(21)12-5-6-16-17(9-12)23-8-7-22-16;/h1-6,9,19H,7-8,10-11H2;1H