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

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(4-methoxyphenyl)ethanone bromide Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2.BrH/c1-21-14-8-6-12(7-9-14)16(20)11-19-10-13-4-2-3-5-15(13)17(19)18;/h2-9,18H,10-11H2,1H3;1H