5-butyl-2-(oxiran-2-ylmethyl)isoindol-2-ium-1,3-dione bromide

Systemtic Name: 5-butyl-2-(oxiran-2-ylmethyl)isoindol-2-ium-1,3-dione bromide Openeye Name: 5-butyl-2-(oxiran-2-ylmethyl)isoindolin-2-ium-1,3-dione bromide CAS Name: 5-butyl-2-(2-oxiranylmethyl)isoindol-2-ium-1,3-dione bromide IUPAC Name: 5-butyl-2-(oxiran-2-ylmethyl)isoindol-2-ium-1,3-dione bromide Traditional Name: 5-butyl-2-glycidyl-isoindolin-2-ium-1,3-quinone bromide Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)C(=O)[NH+](C2=O)CC3CO3.[Br-]

Isomeric SMILES

CCCCC1=CC2=C(C=C1)C(=O)[NH+](C2=O)CC3CO3.[Br-]

InChI

InChI=1S/C15H17NO3.BrH/c1-2-3-4-10-5-6-12-13(7-10)15(18)16(14(12)17)8-11-9-19-11;/h5-7,11H,2-4,8-9H2,1H3;1H