(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]propanal chloride

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]propanal chloride Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-ium-2-yl)propanal chloride CAS Name: (2S)-2-(1,3-dioxo-2-isoindol-2-iumyl)propanal chloride IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-ium-2-yl)propanal chloride Traditional Name: (2S)-2-(1,3-diketoisoindolin-2-ium-2-yl)propionaldehyde chloride Formula: C11H10ClNO3 MolecularWeight: 239.655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)[NH+]1C(=O)C2=CC=CC=C2C1=O.[Cl-]

Isomeric SMILES

C[C@@H](C=O)[NH+]1C(=O)C2=CC=CC=C2C1=O.[Cl-]

InChI

InChI=1S/C11H9NO3.ClH/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15;/h2-7H,1H3;1H/t7-;/m0./s1