2-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-4-methyl-pentanal chloride

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]-4-methyl-pentanal chloride Openeye Name: 2-(1,3-dioxoisoindolin-2-ium-2-yl)-4-methyl-pentanal chloride CAS Name: 2-(1,3-dioxo-2-isoindol-2-iumyl)-4-methylpentanal chloride IUPAC Name: 2-(1,3-dioxoisoindol-2-ium-2-yl)-4-methylpentanal chloride Traditional Name: 2-(1,3-diketoisoindolin-2-ium-2-yl)-4-methyl-valeraldehyde chloride Formula: C14H16ClNO3 MolecularWeight: 281.73474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3.ClH/c1-9(2)7-10(8-16)15-13(17)11-5-3-4-6-12(11)14(15)18;/h3-6,8-10H,7H2,1-2H3;1H