2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide

Systemtic Name: 2-(3-azanyl-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide Openeye Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide CAS Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide IUPAC Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide Traditional Name: 2-(3-amino-1H-isoindol-2-ium-2-yl)-1-(2,5-dimethylphenyl)ethanone bromide Formula: C18H19BrN2O MolecularWeight: 359.26026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C[N+]2=C(C3=CC=CC=C3C2)N.[Br-]

InChI

InChI=1S/C18H18N2O.BrH/c1-12-7-8-13(2)16(9-12)17(21)11-20-10-14-5-3-4-6-15(14)18(20)19;/h3-9,19H,10-11H2,1-2H3;1H