2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-(2,5-dimethoxyphenyl)-3H-isoindol-2-ium-1-yl]amine bromide Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2.BrH/c1-19-12-7-8-15(20-2)14(9-12)18-10-11-5-3-4-6-13(11)16(18)17;/h3-9,17H,10H2,1-2H3;1H