2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(3,4-dimethoxyphenyl)ethanone bromide Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N)OC.[Br-]

InChI

InChI=1S/C18H18N2O3.BrH/c1-22-16-8-7-12(9-17(16)23-2)15(21)11-20-10-13-5-3-4-6-14(13)18(20)19;/h3-9,19H,10-11H2,1-2H3;1H