[2-(4-bromophenyl)-3H-isoindol-1-ylidene]-dimethyl-azanium; methyl hydrogen sulfate

Systemtic Name: [2-(4-bromophenyl)-3H-isoindol-1-ylidene]-dimethyl-azanium; methyl hydrogen sulfate Openeye Name: [2-(4-bromophenyl)isoindolin-1-ylidene]-dimethyl-ammonium; methyl hydrogen sulfate CAS Name: [2-(4-bromophenyl)-3H-isoindol-1-ylidene]-dimethylammonium; sulfuric acid methyl ester IUPAC Name: [2-(4-bromophenyl)-3H-isoindol-1-ylidene]-dimethylazanium; methyl hydrogen sulfate Traditional Name: [2-(4-bromophenyl)isoindolin-1-ylidene]-dimethyl-ammonium; sulfuric acid methyl ester Formula: C17H20BrN2O4S+ MolecularWeight: 428.3207

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C1C2=CC=CC=C2CN1C3=CC=C(C=C3)Br)C.COS(=O)(=O)O

Isomeric SMILES

C[N+](=C1C2=CC=CC=C2CN1C3=CC=C(C=C3)Br)C.COS(=O)(=O)O

InChI

InChI=1S/C16H16BrN2.CH4O4S/c1-18(2)16-15-6-4-3-5-12(15)11-19(16)14-9-7-13(17)8-10-14;1-5-6(2,3)4/h3-10H,11H2,1-2H3;1H3,(H,2,3,4)/q+1;